2-methyl-N-[3-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2-methyl-N-[3-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-methyl-N-[3-[(4-nitrobenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 2-methyl-N-[3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-N-[3-[(4-nitrobenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 2-methyl-N-[3-[(4-nitrobenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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