3-phenylpropyl 4-oxidanylidene-4-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-[[(2R)-tetrahydrofuran-2-yl]methoxy]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[[(2R)-2-oxolanyl]methoxy]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-[[(2R)-tetrahydrofuran-2-yl]methoxy]phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S/c28-23(14-15-24(29)31-17-4-8-19-6-2-1-3-7-19)27-25(33)26-20-10-12-21(13-11-20)32-18-22-9-5-16-30-22/h1-3,6-7,10-13,22H,4-5,8-9,14-18H2,(H2,26,27,28,33)/t22-/m1/s1