2-[2-[(2-methylphenyl)-piperidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide

Systemtic Name: 2-[2-[(2-methylphenyl)-piperidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide Openeye Name: 2-[2-[o-tolyl(1-piperidyl)methyl]pyrrol-1-yl]benzenecarbothioamide CAS Name: 2-[2-[(2-methylphenyl)-(1-piperidinyl)methyl]-1-pyrrolyl]benzenecarbothioamide IUPAC Name: 2-[2-[(2-methylphenyl)-piperidin-1-ylmethyl]pyrrol-1-yl]benzenecarbothioamide Traditional Name: 2-[2-[o-tolyl(piperidino)methyl]pyrrol-1-yl]thiobenzamide Formula: C24H27N3S MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCCCC4

InChI

InChI=1S/C24H27N3S/c1-18-10-3-4-11-19(18)23(26-15-7-2-8-16-26)22-14-9-17-27(22)21-13-6-5-12-20(21)24(25)28/h3-6,9-14,17,23H,2,7-8,15-16H2,1H3,(H2,25,28)