ethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCC)OC

InChI

InChI=1S/C19H28N2O5S/c1-4-6-11-26-15-8-7-14(12-16(15)24-3)13-20-19(27)21-17(22)9-10-18(23)25-5-2/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,20,21,22,27)