4-[3-(4-pyrrol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 4-[3-(4-pyrrol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-(4-pyrrol-1-ylphenyl)sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[4-(1-pyrrolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-(4-pyrrol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[(4-pyrrol-1-ylphenyl)thio]phenyl]tetrahydropyran-4-carboxamide Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CC=C4)C(=O)N

Isomeric SMILES

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CC=C4)C(=O)N

InChI

InChI=1S/C22H22N2O2S/c23-21(25)22(10-14-26-15-11-22)17-4-3-5-20(16-17)27-19-8-6-18(7-9-19)24-12-1-2-13-24/h1-9,12-13,16H,10-11,14-15H2,(H2,23,25)