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

Systemtic Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide Openeye Name: N-phenethyl-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-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: N-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2S/c1-19-11-13-21(14-12-19)15-16-24(30)29-26(32)28-23-10-6-5-9-22(23)25(31)27-18-17-20-7-3-2-4-8-20/h2-16H,17-18H2,1H3,(H,27,31)(H2,28,29,30,32)/b16-15+