4-(2-oxidanylidene-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(2-oxidanylidene-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carbothioamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-28-18-12-14(13-19(29-2)20(18)30-3)23-22(31)25-10-8-15(9-11-25)26-17-7-5-4-6-16(17)24-21(26)27/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,31)(H,24,27)