N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]acetamide CAS Name: N-[4-[2-[7-(2-methyl-1-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-[2-[7-(2-methylpropanoyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-[2-(7-isobutyryl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]acetamide Formula: C31H42N2O2S MolecularWeight: 506.74238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)CSCC4=CC=CC=C4)C=C1

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)CSCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C31H42N2O2S/c1-23(2)31(35)28-11-10-26-15-18-33(19-16-27(26)20-28)17-14-24-8-12-29(13-9-24)32-30(34)22-36-21-25-6-4-3-5-7-25/h3-7,10-11,20,23-24,29H,8-9,12-19,21-22H2,1-2H3,(H,32,34)