propyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(hexanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-[(hexanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(caproylamino)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H25N3O4S MolecularWeight: 331.431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C14H25N3O4S/c1-3-5-6-7-12(19)16-17-14(22)15-11(18)8-9-13(20)21-10-4-2/h3-10H2,1-2H3,(H,16,19)(H2,15,17,18,22)