ethyl (E)-4-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-butyramidobenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/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/h6-11H,3-5H2,1-2H3,(H,19,23)(H,21,26)(H2,20,22,24,28)/b11-10+