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

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O4S/c1-9(22)18-11-3-5-12(6-4-11)19-16(26)20-15(23)10-2-7-13(17)14(8-10)21(24)25/h2-8H,1H3,(H,18,22)(H2,19,20,23,26)