ethyl 4-[(2-methyl-5-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methyl-5-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methyl-5-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-5-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methyl-5-nitro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O4S/c1-3-24-16(21)12-5-7-13(8-6-12)18-17(25)19-15-10-14(20(22)23)9-4-11(15)2/h4-10H,3H2,1-2H3,(H2,18,19,25)