5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzothiophene-2-carboxamide CAS Name: 5-cyano-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-cyano-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzothiophene-2-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=C(S3)C=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=C(S3)C=CC(=C4)C#N

InChI

InChI=1S/C25H28N4O2S/c1-31-22-7-3-2-6-21(22)29-14-12-28(13-15-29)11-5-4-10-27-25(30)24-17-20-16-19(18-26)8-9-23(20)32-24/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,27,30)