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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-(2-methoxyphenyl)-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-(2-methoxyphenyl)-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxyphenyl)-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-(2-methoxyphenyl)piperidine-1-carbothioamide Formula: C28H37N5O2S MolecularWeight: 507.69068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

InChI

InChI=1S/C28H37N5O2S/c1-35-26-13-6-3-10-23(26)29-27(36)31-20-14-22(15-21-31)33-25-12-5-4-11-24(25)32(28(33)34)19-9-18-30-16-7-2-8-17-30/h3-6,10-13,22H,2,7-9,14-21H2,1H3,(H,29,36)