methyl 4-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-butyramidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C17H22N4O5S/c1-3-4-13(22)18-12-7-5-11(6-8-12)16(25)20-21-17(27)19-14(23)9-10-15(24)26-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)(H,20,25)(H2,19,21,23,27)