N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[4-[(4-ethoxyanilino)-oxomethyl]phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[4-(p-phenetylcarbamoyl)phenyl]thioxanthene-3-carboxamide Formula: C29H22N2O6S MolecularWeight: 526.55978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C29H22N2O6S/c1-2-37-22-14-12-21(13-15-22)30-28(33)18-7-10-20(11-8-18)31-29(34)19-9-16-24-26(17-19)38(35,36)25-6-4-3-5-23(25)27(24)32/h3-17H,2H2,1H3,(H,30,33)(H,31,34)