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

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

Isomeric SMILES

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

InChI

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