N-(2-methylphenyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-(o-tolyl)-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-(o-tolyl)piperidine-1-carbothioamide Formula: C28H37N5OS MolecularWeight: 491.69128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

InChI

InChI=1S/C28H37N5OS/c1-22-10-3-4-11-24(22)29-27(35)31-20-14-23(15-21-31)33-26-13-6-5-12-25(26)32(28(33)34)19-9-18-30-16-7-2-8-17-30/h3-6,10-13,23H,2,7-9,14-21H2,1H3,(H,29,35)