methyl 4-[(3,4,5-trimethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3,4,5-trimethoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3,4,5-trimethoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,4,5-trimethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O5S/c1-19-11-8-10(9-12(20-2)14(11)22-4)17-15(23)16-7-5-6-13(18)21-3/h8-9H,5-7H2,1-4H3,(H2,16,17,23)