4-(6-chloranyl-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(6-chloranyl-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(6-chloro-1H-benzimidazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl)OC

InChI

InChI=1S/C21H23ClN4O2S/c1-27-15-4-6-17(19(12-15)28-2)25-21(29)26-9-7-13(8-10-26)20-23-16-5-3-14(22)11-18(16)24-20/h3-6,11-13H,7-10H2,1-2H3,(H,23,24)(H,25,29)