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

Systemtic Name: ethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butyramidophenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-3-5-14(21)18-12-6-8-13(9-7-12)19-17(25)20-15(22)10-11-16(23)24-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,18,21)(H2,19,20,22,25)