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

Systemtic Name: 4-chloranyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H11ClN4O5S MolecularWeight: 394.78964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O5S/c1-8-2-4-10(19(22)23)7-12(8)17-15(26)18-14(21)9-3-5-11(16)13(6-9)20(24)25/h2-7H,1H3,(H2,17,18,21,26)