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

Systemtic Name: 3-methyl-N-[4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H23N3O2S/c1-17-6-8-19(9-7-17)10-15-23(29)28-25(31)27-22-13-11-21(12-14-22)26-24(30)20-5-3-4-18(2)16-20/h3-16H,1-2H3,(H,26,30)(H2,27,28,29,31)/b15-10+