2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H33N3O3S/c1-18-7-6-8-20(15-18)24-21(27)16-30-17-22(28)25-13-9-19(10-14-25)23(29)26-11-4-2-3-5-12-26/h6-8,15,19H,2-5,9-14,16-17H2,1H3,(H,24,27)