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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-8-3-4-10(6-13(8)20(23)24)15(22)19-16(27)18-12-7-11(17)14(21(25)26)5-9(12)2/h3-7H,1-2H3,(H2,18,19,22,27)