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

Systemtic Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C26H34N2O5S/c1-3-4-16-32-22-13-12-21(18-23(22)31-2)19-27-26(34)28-24(29)14-15-25(30)33-17-8-11-20-9-6-5-7-10-20/h5-7,9-10,12-13,18H,3-4,8,11,14-17,19H2,1-2H3,(H2,27,28,29,34)