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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H23N5O2S
Molecular Weight 457.547
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BILS-179BS

SMILES

C[C@H](N(CC(=O)NC1=CC=C(C=C1)C2=CSC(N)=N2)C(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChIKey=ADBGTTMOQLVHOF-KRWDZBQOSA-N
InChI=1S/C25H23N5O2S/c1-17(18-5-3-2-4-6-18)30(24(32)20-11-13-27-14-12-20)15-23(31)28-21-9-7-19(8-10-21)22-16-33-25(26)29-22/h2-14,16-17H,15H2,1H3,(H2,26,29)(H,28,31)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H23N5O2S
Molecular Weight 457.547
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
KE7I395I4Q
Record Status Validated (UNII)
Record Version