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

Systemtic Name: ethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(caproylamino)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4S/c1-3-5-6-7-11(18)15-16-13(21)14-10(17)8-9-12(19)20-4-2/h3-9H2,1-2H3,(H,15,18)(H2,14,16,17,21)