[7-chloranyl-1-[2-methyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-azanyl-4-methylsulfanyl-butanoate hydrochloride

Systemtic Name: [7-chloranyl-1-[2-methyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-azanyl-4-methylsulfanyl-butanoate hydrochloride Openeye Name: [7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-amino-4-methylsulfanyl-butanoate hydrochloride CAS Name: 2-amino-4-(methylthio)butanoic acid [7-chloro-1-[[2-methyl-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester hydrochloride IUPAC Name: [7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-amino-4-methylsulfanylbutanoate hydrochloride Traditional Name: 2-amino-4-(methylthio)butyric acid [7-chloro-1-[2-methyl-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester hydrochloride Formula: C31H35Cl2N3O4S MolecularWeight: 616.5983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OC(=O)C(CCSC)N)C.Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)OC(=O)C(CCSC)N)C.Cl

InChI

InChI=1S/C31H34ClN3O4S.ClH/c1-19-7-4-5-8-23(19)29(36)34-22-11-12-24(20(2)17-22)30(37)35-15-6-9-28(25-18-21(32)10-13-27(25)35)39-31(38)26(33)14-16-40-3;/h4-5,7-8,10-13,17-18,26,28H,6,9,14-16,33H2,1-3H3,(H,34,36);1H