ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O5S/c1-2-26-16(23)10-3-6-12(7-4-10)19-17(27)20-15(22)11-5-8-13(18)14(9-11)21(24)25/h3-9H,2H2,1H3,(H2,19,20,22,27)