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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(tetrahydrofurfurylcarbamoyl)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=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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