N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide Traditional Name: 2-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[4-(methylthio)benzyl]butyramide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)SC)N2C(=O)CCCC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)SC)N2C(=O)CCCC3=CC=CC=C32

InChI

InChI=1S/C22H26N2O2S/c1-3-19(22(26)23-15-16-11-13-18(27-2)14-12-16)24-20-9-5-4-7-17(20)8-6-10-21(24)25/h4-5,7,9,11-14,19H,3,6,8,10,15H2,1-2H3,(H,23,26)