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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2-prop-2-enoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(2-allyloxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(2-prop-2-enoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-[(2-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=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCOC1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H28N2O4S/c1-2-17-29-21-14-7-6-13-20(21)25-24(31)26-22(27)15-8-16-23(28)30-18-9-12-19-10-4-3-5-11-19/h2-7,10-11,13-14H,1,8-9,12,15-18H2,(H2,25,26,27,31)