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

Systemtic Name: phenethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(hexanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(caproylamino)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C19H27N3O4S/c1-2-3-5-10-17(24)21-22-19(27)20-16(23)11-12-18(25)26-14-13-15-8-6-4-7-9-15/h4,6-9H,2-3,5,10-14H2,1H3,(H,21,24)(H2,20,22,23,27)