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

Systemtic Name: ethyl 3-[3-(2-chlorophenyl)propanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[3-(2-chlorophenyl)propanoylcarbamothioyl]amino]propanoate CAS Name: 3-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[3-(2-chlorophenyl)propanoylcarbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[3-(2-chlorophenyl)propanoylthiocarbamoyl]amino]propionic acid ethyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-2-28-21(27)14-15-25(16-17-8-4-3-5-9-17)22(29)24-20(26)13-12-18-10-6-7-11-19(18)23/h3-11H,2,12-16H2,1H3,(H,24,26,29)