methyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C14H19ClN2O4S MolecularWeight: 346.82966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NCCCC(=O)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NCCCC(=O)OC)OC)Cl

InChI

InChI=1S/C14H19ClN2O4S/c1-19-11-8-10(12(20-2)7-9(11)15)17-14(22)16-6-4-5-13(18)21-3/h7-8H,4-6H2,1-3H3,(H2,16,17,22)