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

Systemtic Name: 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: N-propyl-4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: N-propyl-4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23N3O2S/c1-3-14-22-20(26)17-9-11-18(12-10-17)23-21(27)24-19(25)13-8-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H2,23,24,25,27)/b13-8+