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

Systemtic Name: phenethyl 4-[(butanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(butanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxobutylhydrazo)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(butanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-(butyramidothiocarbamoylamino)-4-keto-butyric acid phenethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-2-6-15(22)19-20-17(25)18-14(21)9-10-16(23)24-12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,22)(H2,18,20,21,25)