3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]amino]propanamide CAS Name: 3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]amino]propanamide Traditional Name: 3-[benzyl-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]amino]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-16-7-9-17(10-8-16)11-12-20(26)23-21(27)24(14-13-19(22)25)15-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H2,22,25)(H,23,26,27)/b12-11+