propyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butyramidophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC

InChI

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