N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-homoveratryl-piperidine-1-carbothioamide Formula: C25H32N4O2S MolecularWeight: 452.61218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H32N4O2S/c1-16-12-20-21(13-17(16)2)28-24(27-20)19-6-5-11-29(15-19)25(32)26-10-9-18-7-8-22(30-3)23(14-18)31-4/h7-8,12-14,19H,5-6,9-11,15H2,1-4H3,(H,26,32)(H,27,28)