(3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide Openeye Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(o-tolyl)piperidine-1-carbothioamide CAS Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(2-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide Traditional Name: (3S)-3-(6-methyl-1H-benzimidazol-2-yl)-N-(o-tolyl)piperidine-1-carbothioamide Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCCN(C3)C(=S)NC4=CC=CC=C4C

InChI

InChI=1S/C21H24N4S/c1-14-9-10-18-19(12-14)23-20(22-18)16-7-5-11-25(13-16)21(26)24-17-8-4-3-6-15(17)2/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3,(H,22,23)(H,24,26)/t16-/m0/s1