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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-propoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(4-propoxyphenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[(4-propoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(4-propoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(4-propoxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-2-17-29-21-15-13-20(14-16-21)25-24(31)26-22(27)11-6-12-23(28)30-18-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-16H,2,6-7,10-12,17-18H2,1H3,(H2,25,26,27,31)