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

Systemtic Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

InChI

InChI=1S/C21H21N3O2S/c1-3-14-22-20(26)17-6-4-5-7-18(17)23-21(27)24-19(25)13-12-16-10-8-15(2)9-11-16/h3-13H,1,14H2,2H3,(H,22,26)(H2,23,24,25,27)/b13-12+