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

Systemtic Name: N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: N-[4-[[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: N-[4-[[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: N-[4-[[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3S/c1-17-7-9-18(10-8-17)11-16-22(30)27-25(33)29-28-24(32)20-12-14-21(15-13-20)26-23(31)19-5-3-2-4-6-19/h2-16H,1H3,(H,26,31)(H,28,32)(H2,27,29,30,33)/b16-11+