4-chloranyl-3-[(4-ethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[(4-ethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(4-ethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(4-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[(4-ethoxybenzoyl)thiocarbamoylamino]benzoate Formula: C17H14ClN2O4S- MolecularWeight: 377.82206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-2-24-12-6-3-10(4-7-12)15(21)20-17(25)19-14-9-11(16(22)23)5-8-13(14)18/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)/p-1