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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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