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

Systemtic Name: 2-methyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-3-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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