N-[(2,3-dimethoxyphenyl)methyl]-4-[2-oxidanylidene-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[2-oxidanylidene-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[2-oxo-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[2-oxo-3-[3-(1-pyrrolidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[2-oxo-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-pyrrolidinopropyl)benzimidazol-1-yl]-N-o-veratryl-piperidine-1-carbothioamide Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCC5

InChI

InChI=1S/C29H39N5O3S/c1-36-26-12-7-9-22(27(26)37-2)21-30-28(38)32-19-13-23(14-20-32)34-25-11-4-3-10-24(25)33(29(34)35)18-8-17-31-15-5-6-16-31/h3-4,7,9-12,23H,5-6,8,13-21H2,1-2H3,(H,30,38)