N-[[3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-5-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenyl-benzamide

Systemtic Name: N-[[3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-5-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenyl-benzamide Openeye Name: N-[[3-[(3-amino-3-methyl-butanoyl)amino]-2-oxo-5-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenyl-benzamide CAS Name: N-[[3-[(3-amino-3-methyl-1-oxobutyl)amino]-2-oxo-5-(phenylthio)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenylbenzamide IUPAC Name: N-[[3-[(3-amino-3-methylbutanoyl)amino]-2-oxo-5-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenylbenzamide Traditional Name: N-[[3-[(3-amino-3-methyl-butanoyl)amino]-2-keto-5-(phenylthio)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]-2-phenyl-benzamide Formula: C35H36N4O3S MolecularWeight: 592.75034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CC(C2=CC=CC=C2N(C1=O)CNC(=O)C3=CC=CC=C3C4=CC=CC=C4)SC5=CC=CC=C5)N

Isomeric SMILES

CC(C)(CC(=O)NC1CC(C2=CC=CC=C2N(C1=O)CNC(=O)C3=CC=CC=C3C4=CC=CC=C4)SC5=CC=CC=C5)N

InChI

InChI=1S/C35H36N4O3S/c1-35(2,36)22-32(40)38-29-21-31(43-25-15-7-4-8-16-25)28-19-11-12-20-30(28)39(34(29)42)23-37-33(41)27-18-10-9-17-26(27)24-13-5-3-6-14-24/h3-20,29,31H,21-23,36H2,1-2H3,(H,37,41)(H,38,40)