3-phenylpropyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

InChI

InChI=1S/C24H29N3O5S/c28-16-7-15-25-23(31)19-11-4-5-12-20(19)26-24(33)27-21(29)13-14-22(30)32-17-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,28H,6-7,10,13-17H2,(H,25,31)(H2,26,27,29,33)