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

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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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)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-27-16-9-4-12(10-15(16)22(25)26)17(24)21-18(28)20-14-7-5-13(6-8-14)19-11(2)23/h4-10H,3H2,1-2H3,(H,19,23)(H2,20,21,24,28)