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

Systemtic Name: methyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-isopentyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-isoamoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C17H24N2O4S/c1-12(2)9-10-23-14-6-4-5-13(11-14)18-17(24)19-15(20)7-8-16(21)22-3/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19,20,24)