N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-14-6-4-8-16(12-14)23-20(27)15-7-5-9-17(13-15)24-22(31)25-21(28)18-10-2-3-11-19(18)26(29)30/h2-13H,1H3,(H,23,27)(H2,24,25,28,31)