ethyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-chloroanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-chlorophenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC=CC=C1Cl

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC=CC=C1Cl

InChI

InChI=1S/C13H17ClN2O2S/c1-2-18-12(17)8-5-9-15-13(19)16-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,15,16,19)