propyl 4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-[[3-(isopropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-10-25-16(23)9-8-15(22)21-18(26)20-14-7-5-6-13(11-14)17(24)19-12(2)3/h5-7,11-12H,4,8-10H2,1-3H3,(H,19,24)(H2,20,21,22,26)