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

Systemtic Name: 3-phenylpropyl 5-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-(2-methoxyethoxy)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(2-methoxyethoxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O5S/c1-29-16-17-30-21-12-5-11-20(18-21)25-24(32)26-22(27)13-6-14-23(28)31-15-7-10-19-8-3-2-4-9-19/h2-5,8-9,11-12,18H,6-7,10,13-17H2,1H3,(H2,25,26,27,32)