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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-[(2-methoxyphenyl)methyl]-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-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-anisyl-piperidine-1-carbothioamide Formula: C29H39N5O2S MolecularWeight: 521.71726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCCC5

InChI

InChI=1S/C29H39N5O2S/c1-36-27-13-6-3-10-23(27)22-30-28(37)32-20-14-24(15-21-32)34-26-12-5-4-11-25(26)33(29(34)35)19-9-18-31-16-7-2-8-17-31/h3-6,10-13,24H,2,7-9,14-22H2,1H3,(H,30,37)