phenethyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-isopentyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-isoamoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-18(2)14-16-29-21-10-8-20(9-11-21)25-24(31)26-22(27)12-13-23(28)30-17-15-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H2,25,26,27,31)