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

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

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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