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

Systemtic Name: phenethyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-isopentyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-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=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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