4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7S/c1-3-28-15-6-4-10(8-12(15)20(23)24)16(22)19-17(29)18-11-5-7-14(27-2)13(9-11)21(25)26/h4-9H,3H2,1-2H3,(H2,18,19,22,29)