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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4)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=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H23Cl2N3O2S/c1-34-24-11-6-5-10-20(24)26(19-8-3-2-4-9-19)32-27(29(34)36)33-28(35)21(25-12-7-15-37-25)16-18-13-14-22(30)23(31)17-18/h2-15,17,21,27H,16H2,1H3,(H,33,35)/t21?,27-/m1/s1