N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C25H26N4O2S/c26-17-19-15-20(27-25(30)24-16-18-3-1-2-4-23(18)32-24)5-6-22(19)29-11-9-28(10-12-29)21-7-13-31-14-8-21/h1-6,15-16,21H,7-14H2,(H,27,30)