2-[(2-methylphenyl)-piperidin-1-yl-methyl]-3-pyrrol-1-yl-benzenecarbothioamide

Systemtic Name: 2-[(2-methylphenyl)-piperidin-1-yl-methyl]-3-pyrrol-1-yl-benzenecarbothioamide Openeye Name: 2-[o-tolyl(1-piperidyl)methyl]-3-pyrrol-1-yl-benzenecarbothioamide CAS Name: 2-[(2-methylphenyl)-(1-piperidinyl)methyl]-3-(1-pyrrolyl)benzenecarbothioamide IUPAC Name: 2-[(2-methylphenyl)-piperidin-1-ylmethyl]-3-pyrrol-1-ylbenzenecarbothioamide Traditional Name: 2-[o-tolyl(piperidino)methyl]-3-pyrrol-1-yl-thiobenzamide Formula: C24H27N3S MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=C(C=CC=C2N3C=CC=C3)C(=S)N)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=C(C=CC=C2N3C=CC=C3)C(=S)N)N4CCCCC4

InChI

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