N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H13ClN4O6S MolecularWeight: 424.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O6S/c1-8-5-12(20(23)24)10(17)7-11(8)18-16(28)19-15(22)9-3-4-14(27-2)13(6-9)21(25)26/h3-7H,1-2H3,(H2,18,19,22,28)