1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[3-(4-chloro-2-methyl-benzoyl)piperidino]-4-(2-thienyl)butan-1-one Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H24ClNO2S/c1-15-13-17(22)9-10-19(15)21(25)16-5-3-11-23(14-16)20(24)8-2-6-18-7-4-12-26-18/h4,7,9-10,12-13,16H,2-3,5-6,8,11,14H2,1H3