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

Systemtic Name: ethyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-isopentyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-isoamoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC(C)C

InChI

InChI=1S/C18H26N2O4S/c1-4-23-17(22)9-8-16(21)20-18(25)19-14-6-5-7-15(12-14)24-11-10-13(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H2,19,20,21,25)