3-phenylpropyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[(4-allyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(4-prop-2-enoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-allyloxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-2-16-31-20-12-10-19(11-13-20)23(30)26-27-24(33)25-21(28)14-15-22(29)32-17-6-9-18-7-4-3-5-8-18/h2-5,7-8,10-13H,1,6,9,14-17H2,(H,26,30)(H2,25,27,28,33)