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

Systemtic Name: methyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(hexanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(hexanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(caproylamino)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4S/c1-3-4-5-6-10(17)14-15-12(20)13-9(16)7-8-11(18)19-2/h3-8H2,1-2H3,(H,14,17)(H2,13,15,16,20)