methyl 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C23H26N4O2S/c1-14-11-19-20(12-15(14)2)25-21(24-19)16-7-6-10-27(13-16)23(30)26-18-9-5-4-8-17(18)22(28)29-3/h4-5,8-9,11-12,16H,6-7,10,13H2,1-3H3,(H,24,25)(H,26,30)