methyl 4-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(2,4-dichlorophenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(2,4-dichlorophenyl)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NCCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-20-13(19)3-2-7-17-14(21)18-8-6-10-4-5-11(15)9-12(10)16/h4-5,9H,2-3,6-8H2,1H3,(H2,17,18,21)