3-phenylpropyl 5-oxidanylidene-5-[(3-prop-2-enoxyphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(3-prop-2-enoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(3-allyloxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(3-prop-2-enoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-[(3-allyloxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/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/h2-6,9-10,12-13,18H,1,7-8,11,14-17H2,(H2,25,26,27,31)