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

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-18-11-6-5-9(8-10(11)14)16-13(20)15-7-3-4-12(17)19-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,20)