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

Systemtic Name: ethyl 3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C=CC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C23H26N2O3S/c1-3-28-22(27)15-16-25(17-20-7-5-4-6-8-20)23(29)24-21(26)14-13-19-11-9-18(2)10-12-19/h4-14H,3,15-17H2,1-2H3,(H,24,26,29)/b14-13+