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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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