N-[(2-aminocarbonylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(2-carbamoylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(2-carbamoylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(2-carbamoylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(2-carbamoylphenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-2-26-14-8-7-10(9-13(14)21(24)25)16(23)20-17(27)19-12-6-4-3-5-11(12)15(18)22/h3-9H,2H2,1H3,(H2,18,22)(H2,19,20,23,27)