4-chloranyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c1-10(23)21(2)13-6-4-12(5-7-13)19-17(27)20-16(24)11-3-8-14(18)15(9-11)22(25)26/h3-9H,1-2H3,(H2,19,20,24,27)