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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5S/c30-23(13-14-24(31)34-16-5-9-19-7-2-1-3-8-19)29-26(35)28-21-11-4-10-20(17-21)25(32)27-18-22-12-6-15-33-22/h1-4,7-8,10-11,17,22H,5-6,9,12-16,18H2,(H,27,32)(H2,28,29,30,35)