ethyl (E)-4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-butoxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-butoxyphenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-butoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H22N2O4S/c1-3-5-12-23-14-8-6-13(7-9-14)18-17(24)19-15(20)10-11-16(21)22-4-2/h6-11H,3-5,12H2,1-2H3,(H2,18,19,20,24)/b11-10+