azepan-1-yl-[1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]-4-piperidyl]methanone Formula: C26H31ClN2O2S MolecularWeight: 471.05454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN2O2S/c27-23-9-11-24(12-10-23)32-19-20-5-7-21(8-6-20)25(30)29-17-13-22(14-18-29)26(31)28-15-3-1-2-4-16-28/h5-12,22H,1-4,13-19H2