ethyl 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H26N2O3S/c1-2-31-25(30)17-18-28(19-20-9-4-3-5-10-20)26(32)27-24(29)16-15-22-13-8-12-21-11-6-7-14-23(21)22/h3-16H,2,17-19H2,1H3,(H,27,29,32)/b16-15+