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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-o-veratryl-piperidine-1-carbothioamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H26N4O3S/c1-28-19-9-5-6-15(20(19)29-2)14-23-22(30)25-12-10-16(11-13-25)26-18-8-4-3-7-17(18)24-21(26)27/h3-9,16H,10-14H2,1-2H3,(H,23,30)(H,24,27)