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

Systemtic Name: propyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-4-6-12-26-16-8-7-15(13-17(16)25-3)14-21-20(28)22-18(23)9-10-19(24)27-11-5-2/h7-8,13H,4-6,9-12,14H2,1-3H3,(H2,21,22,23,28)