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

Systemtic Name: ethyl 4-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-butyramidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-3-5-14(23)19-13-8-6-12(7-9-13)17(26)21-22-18(28)20-15(24)10-11-16(25)27-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,19,23)(H,21,26)(H2,20,22,24,28)