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

Systemtic Name: methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H24N4O2S/c1-14-9-10-18-19(12-14)24-20(23-18)15-6-5-11-26(13-15)22(29)25-17-8-4-3-7-16(17)21(27)28-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3,(H,23,24)(H,25,29)