1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(8-chloranylnaphthalen-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(8-chloranylnaphthalen-1-yl)sulfanyl-ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-[(8-chloro-1-naphthyl)sulfanyl]ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-[(8-chloro-1-naphthalenyl)thio]ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(8-chloronaphthalen-1-yl)sulfanylethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-[(8-chloro-1-naphthyl)thio]ethanone Formula: C24H29ClN2O2S MolecularWeight: 445.01726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C24H29ClN2O2S/c25-20-9-5-7-18-8-6-10-21(23(18)20)30-17-22(28)26-15-11-19(12-16-26)24(29)27-13-3-1-2-4-14-27/h5-10,19H,1-4,11-17H2