3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide CAS Name: 3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 3-(3,4-dichlorophenyl)-2-phenyl-N-(5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl)propionamide Formula: C30H23Cl2N3OS MolecularWeight: 544.49412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=S)NC3=CC=CC=C32)NC(=O)C(CC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=S)NC3=CC=CC=C32)NC(=O)C(CC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H23Cl2N3OS/c31-24-16-15-19(18-25(24)32)17-23(20-9-3-1-4-10-20)29(36)35-28-30(37)33-26-14-8-7-13-22(26)27(34-28)21-11-5-2-6-12-21/h1-16,18,23,28H,17H2,(H,33,37)(H,35,36)