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

Systemtic Name: propyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(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=C(C=C1)C(=O)NCC2CCCO2

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-2-11-28-18(25)10-9-17(24)23-20(29)22-15-7-5-14(6-8-15)19(26)21-13-16-4-3-12-27-16/h5-8,16H,2-4,9-13H2,1H3,(H,21,26)(H2,22,23,24,29)