3-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[4-(benzofuran-2-carbonyl)piperazino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)C#N

InChI

InChI=1S/C25H26N4O3S/c26-16-19-18-6-2-4-8-22(18)33-24(19)27-23(30)9-10-28-11-13-29(14-12-28)25(31)21-15-17-5-1-3-7-20(17)32-21/h1,3,5,7,15H,2,4,6,8-14H2,(H,27,30)