ethyl 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C17H16N4O3S/c1-2-24-15(22)10-3-5-11(6-4-10)18-17(25)19-12-7-8-13-14(9-12)21-16(23)20-13/h3-9H,2H2,1H3,(H2,18,19,25)(H2,20,21,23)