2-butyl-3-[2-(4-methylsulfanylphenyl)ethylamino]-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide

Systemtic Name: 2-butyl-3-[2-(4-methylsulfanylphenyl)ethylamino]-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide Openeye Name: 2-butyl-3-[2-(4-methylsulfanylphenyl)ethylamino]-9-oxo-1-phenyl-thioxanthene-4-carboxamide CAS Name: 2-butyl-3-[2-[4-(methylthio)phenyl]ethylamino]-9-oxo-1-phenyl-4-thioxanthenecarboxamide IUPAC Name: 2-butyl-3-[2-(4-methylsulfanylphenyl)ethylamino]-9-oxo-1-phenylthioxanthene-4-carboxamide Traditional Name: 2-butyl-9-keto-3-[2-[4-(methylthio)phenyl]ethylamino]-1-phenyl-thioxanthene-4-carboxamide Formula: C33H32N2O2S2 MolecularWeight: 552.74938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCC5=CC=C(C=C5)SC

Isomeric SMILES

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCC5=CC=C(C=C5)SC

InChI

InChI=1S/C33H32N2O2S2/c1-3-4-12-25-27(22-10-6-5-7-11-22)28-31(36)24-13-8-9-14-26(24)39-32(28)29(33(34)37)30(25)35-20-19-21-15-17-23(38-2)18-16-21/h5-11,13-18,35H,3-4,12,19-20H2,1-2H3,(H2,34,37)