ethyl 4-[[2-(benzimidazol-1-yl)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(benzimidazol-1-yl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(benzimidazol-1-yl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-benzimidazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(benzimidazol-1-yl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(benzimidazol-1-yl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C19H19N5O3S/c1-2-27-18(26)13-7-9-14(10-8-13)21-19(28)23-22-17(25)11-24-12-20-15-5-3-4-6-16(15)24/h3-10,12H,2,11H2,1H3,(H,22,25)(H2,21,23,28)