3-methyl-N-(3-methylsulfanylphenyl)-2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide

Systemtic Name: 3-methyl-N-(3-methylsulfanylphenyl)-2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide Openeye Name: 3-methyl-N-(3-methylsulfanylphenyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide CAS Name: 3-methyl-N-[3-(methylthio)phenyl]-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide IUPAC Name: 3-methyl-N-(3-methylsulfanylphenyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-3-methyl-N-[3-(methylthio)phenyl]butyramide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C22H27N3O4S2/c1-14(2)21(22(27)23-16-7-5-8-17(13-16)30-3)25-31(28,29)18-10-11-19-15(12-18)6-4-9-20(26)24-19/h5,7-8,10-14,21,25H,4,6,9H2,1-3H3,(H,23,27)(H,24,26)