2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: N-(1-phenylethyl)-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-(1-phenylethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: N-(1-phenylethyl)-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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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)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2S/c1-18-12-14-20(15-13-18)16-17-24(30)29-26(32)28-23-11-7-6-10-22(23)25(31)27-19(2)21-8-4-3-5-9-21/h3-17,19H,1-2H3,(H,27,31)(H2,28,29,30,32)/b17-16+