3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoate

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-2-methylbenzoate Traditional Name: 3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-2-methyl-benzoate Formula: C18H16N3O6S- MolecularWeight: 402.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-])[N+](=O)[O-]

InChI

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