3-phenylpropyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c27-20(15-16-22(29)30-17-7-12-18-8-3-1-4-9-18)24-23(31)26-25-21(28)14-13-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,25,28)(H2,24,26,27,31)