ethyl 4-[2-(1H-benzimidazol-2-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(1H-benzimidazol-2-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H20N4O2S/c1-2-25-18(24)13-7-9-14(10-8-13)21-19(26)20-12-11-17-22-15-5-3-4-6-16(15)23-17/h3-10H,2,11-12H2,1H3,(H,22,23)(H2,20,21,26)