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

Systemtic Name: [1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [1-[[2-chloro-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [1-[2-chloro-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C30H32ClN3O4S MolecularWeight: 566.11078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)C(CCSC)N)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)C(CCSC)N)Cl

InChI

InChI=1S/C30H32ClN3O4S/c1-19-8-3-4-9-21(19)28(35)33-20-13-14-22(24(31)18-20)29(36)34-16-7-12-27(23-10-5-6-11-26(23)34)38-30(37)25(32)15-17-39-2/h3-6,8-11,13-14,18,25,27H,7,12,15-17,32H2,1-2H3,(H,33,35)