ethyl 4-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H24N4O3S/c1-2-29-20(27)15-7-9-16(10-8-15)23-22(30)25-13-11-17(12-14-25)26-19-6-4-3-5-18(19)24-21(26)28/h3-10,17H,2,11-14H2,1H3,(H,23,30)(H,24,28)