3-phenylpropyl 5-oxidanylidene-5-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c29-17-8-16-26-24(32)20-12-4-5-13-21(20)27-25(34)28-22(30)14-6-15-23(31)33-18-7-11-19-9-2-1-3-10-19/h1-5,9-10,12-13,29H,6-8,11,14-18H2,(H,26,32)(H2,27,28,30,34)