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

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C18H17N3O7S MolecularWeight: 419.40848

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7S/c1-3-28-15-7-4-10(9-13(15)21(25)26)16(22)20-18(29)19-12-8-11(17(23)24)5-6-14(12)27-2/h4-9H,3H2,1-2H3,(H,23,24)(H2,19,20,22,29)