2-[methyl-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[methyl-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]amino]-N-phenethylbenzamide Traditional Name: 2-[methyl-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]amino]-N-phenethyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O2S/c1-20-12-14-22(15-13-20)16-17-25(31)29-27(33)30(2)24-11-7-6-10-23(24)26(32)28-19-18-21-8-4-3-5-9-21/h3-17H,18-19H2,1-2H3,(H,28,32)(H,29,31,33)/b17-16+