ethyl 3-[(2,4-dichlorophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2,4-dichlorophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2,4-dichlorobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2,4-dichlorobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(2,4-dichlorobenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O3S/c1-2-27-18(25)10-11-24(13-14-6-4-3-5-7-14)20(28)23-19(26)16-9-8-15(21)12-17(16)22/h3-9,12H,2,10-11,13H2,1H3,(H,23,26,28)