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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H24N4O3S/c1-27-15-7-8-19(28-2)17(13-15)23-21(29)24-11-9-14(10-12-24)25-18-6-4-3-5-16(18)22-20(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)(H,23,29)