[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: (3-methyl-1-piperidyl)-[4-(p-tolylsulfanylmethyl)phenyl]methanone CAS Name: [4-[[(4-methylphenyl)thio]methyl]phenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: (3-methylpiperidino)-[4-[(p-tolylthio)methyl]phenyl]methanone Formula: C21H25NOS MolecularWeight: 339.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NOS/c1-16-5-11-20(12-6-16)24-15-18-7-9-19(10-8-18)21(23)22-13-3-4-17(2)14-22/h5-12,17H,3-4,13-15H2,1-2H3