methyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-(o-anisylthiocarbamoylamino)butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-18-12-7-4-3-6-11(12)10-16-14(20)15-9-5-8-13(17)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H2,15,16,20)