ethyl 3-[2-(4-chlorophenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[2-(4-chlorophenyl)acetyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[2-(4-chlorophenyl)acetyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/c1-2-27-20(26)12-13-24(15-17-6-4-3-5-7-17)21(28)23-19(25)14-16-8-10-18(22)11-9-16/h3-11H,2,12-15H2,1H3,(H,23,25,28)