4-chloranyl-N-[(4-ethanoylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(4-ethanoylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-9(21)10-2-5-12(6-3-10)18-16(25)19-15(22)11-4-7-13(17)14(8-11)20(23)24/h2-8H,1H3,(H2,18,19,22,25)