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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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