3-methyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N4O4S/c1-14-4-3-5-16(12-14)21(28)24-18-7-9-19(10-8-18)25-23(32)26-22(29)17-6-11-20(27(30)31)15(2)13-17/h3-13H,1-2H3,(H,24,28)(H2,25,26,29,32)