phenethyl 4-oxidanylidene-4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5S/c29-22(12-13-23(30)33-16-14-18-7-2-1-3-8-18)28-25(34)27-21-11-5-4-10-20(21)24(31)26-17-19-9-6-15-32-19/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,26,31)(H2,27,28,29,34)/t19-/m1/s1