methyl 4-[(2,4,5-trimethoxyphenyl)methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2,4,5-trimethoxyphenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(2,4,5-trimethoxyphenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[(2,4,5-trimethoxyphenyl)methylamino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,4,5-trimethoxyphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(2,4,5-trimethoxybenzyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=S)NCCCC(=O)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=S)NCCCC(=O)OC)OC)OC

InChI

InChI=1S/C16H24N2O5S/c1-20-12-9-14(22-3)13(21-2)8-11(12)10-18-16(24)17-7-5-6-15(19)23-4/h8-9H,5-7,10H2,1-4H3,(H2,17,18,24)