methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(1-methyl-2-benzimidazolyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(1-methylbenzimidazol-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:

CN1C2=CC=CC=C2N=C1C3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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