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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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