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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

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