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

Systemtic Name: propyl 4-oxidanylidene-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

InChI

InChI=1S/C20H27N3O5S/c1-2-10-28-18(25)9-8-17(24)23-20(29)22-15-6-3-5-14(12-15)19(26)21-13-16-7-4-11-27-16/h3,5-6,12,16H,2,4,7-11,13H2,1H3,(H,21,26)(H2,22,23,24,29)