ethyl 3-[2-(2-methylphenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(2-methylphenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[2-(o-tolyl)acetyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[2-(2-methylphenyl)acetyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[2-(o-tolyl)acetyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C22H26N2O3S/c1-3-27-21(26)13-14-24(16-18-10-5-4-6-11-18)22(28)23-20(25)15-19-12-8-7-9-17(19)2/h4-12H,3,13-16H2,1-2H3,(H,23,25,28)