2-azanyl-N-[1-(2-ethanoyl-3-phenyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[1-(2-ethanoyl-3-phenyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: N-[1-(2-acetyl-3-phenyl-phenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-N-methyl-3-sulfanyl-propanamide CAS Name: N-[1-(2-acetyl-3-phenylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-3-mercapto-N-methylpropanamide IUPAC Name: N-[1-(2-acetyl-3-phenylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-N-methyl-3-sulfanylpropanamide Traditional Name: N-[1-(2-acetyl-3-phenyl-phenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-amino-3-mercapto-N-methyl-propionamide Formula: C33H30N4O3S MolecularWeight: 562.6813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C(C=CC=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H30N4O3S/c1-21(38)29-24(22-12-5-3-6-13-22)17-11-19-28(29)37-27-18-10-9-16-25(27)30(23-14-7-4-8-15-23)35-31(33(37)40)36(2)32(39)26(34)20-41/h3-19,26,31,41H,20,34H2,1-2H3