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

Systemtic Name: phenethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C25H32N2O5S/c1-3-4-15-31-21-11-10-20(17-22(21)30-2)18-26-25(33)27-23(28)12-13-24(29)32-16-14-19-8-6-5-7-9-19/h5-11,17H,3-4,12-16,18H2,1-2H3,(H2,26,27,28,33)