3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-3-27-15-7-6-11(9-14(15)21(25)26)16(22)20-18(28)19-13-8-12(17(23)24)5-4-10(13)2/h4-9H,3H2,1-2H3,(H,23,24)(H2,19,20,22,28)