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

Systemtic Name: methyl 2-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O2S/c1-27-20(26)15-8-2-3-9-16(15)24-21(28)25-12-6-7-14(13-25)19-22-17-10-4-5-11-18(17)23-19/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,23)(H,24,28)