ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C14H19ClN2O2S/c1-3-19-13(18)8-5-9-16-14(20)17-12-7-4-6-11(15)10(12)2/h4,6-7H,3,5,8-9H2,1-2H3,(H2,16,17,20)