methyl 4-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-(veratrylthiocarbamoylamino)butyric acid methyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCCCC(=O)OC)OC

InChI

InChI=1S/C15H22N2O4S/c1-19-12-7-6-11(9-13(12)20-2)10-17-15(22)16-8-4-5-14(18)21-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,22)