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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidinecarbothioamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbothioamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-homoveratryl-piperidine-1-carbothioamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H28N4O2S/c1-28-20-10-9-16(14-21(20)29-2)11-12-24-23(30)27-13-5-6-17(15-27)22-25-18-7-3-4-8-19(18)26-22/h3-4,7-10,14,17H,5-6,11-13,15H2,1-2H3,(H,24,30)(H,25,26)