3-phenylpropyl 5-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-isopentyloxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-isoamoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O4S/c1-20(2)17-19-31-23-15-13-22(14-16-23)27-26(33)28-24(29)11-6-12-25(30)32-18-7-10-21-8-4-3-5-9-21/h3-5,8-9,13-16,20H,6-7,10-12,17-19H2,1-2H3,(H2,27,28,29,33)