3-(3,4-dichlorophenyl)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-thiophen-3-yl-propanamide

Systemtic Name: 3-(3,4-dichlorophenyl)-N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-thiophen-3-yl-propanamide Openeye Name: 3-(3,4-dichlorophenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(3-thienyl)propanamide CAS Name: 3-(3,4-dichlorophenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(3-thiophenyl)propanamide IUPAC Name: 3-(3,4-dichlorophenyl)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-thiophen-3-ylpropanamide Traditional Name: 3-(3,4-dichlorophenyl)-N-[(3S)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(3-thienyl)propionamide Formula: C29H23Cl2N3O2S MolecularWeight: 548.48282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC(=C(C=C3)Cl)Cl)C4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C(CC3=CC(=C(C=C3)Cl)Cl)C4=CSC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23Cl2N3O2S/c1-34-25-10-6-5-9-21(25)26(19-7-3-2-4-8-19)32-27(29(34)36)33-28(35)22(20-13-14-37-17-20)15-18-11-12-23(30)24(31)16-18/h2-14,16-17,22,27H,15H2,1H3,(H,33,35)/t22?,27-/m1/s1