4-chloranyl-N-[(4-methylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(4-methylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-(p-tolylcarbamothioyl)benzamide CAS Name: 4-chloro-N-[(4-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(4-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-(p-tolylthiocarbamoyl)benzamide Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O3S/c1-9-2-5-11(6-3-9)17-15(23)18-14(20)10-4-7-12(16)13(8-10)19(21)22/h2-8H,1H3,(H2,17,18,20,23)