methyl 2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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