3-phenylpropyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-isobutoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-isobutoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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