3-phenylpropyl 5-[[4-(2-ethoxyethoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(2-ethoxyethoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-ethoxyethoxy)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(2-ethoxyethoxy)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(2-ethoxyethoxy)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O5S/c1-2-30-18-19-31-22-15-13-21(14-16-22)26-25(33)27-23(28)11-6-12-24(29)32-17-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16H,2,6-7,10-12,17-19H2,1H3,(H2,26,27,28,33)