2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-methyl-N-[4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O4S/c1-16-5-2-3-8-21(16)23(30)25-18-10-12-19(13-11-18)26-24(33)27-22(29)14-9-17-6-4-7-20(15-17)28(31)32/h2-15H,1H3,(H,25,30)(H2,26,27,29,33)/b14-9+