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

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]benzothiophene-2-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C22H22N4O2S/c23-15-17-13-18(5-6-19(17)26-9-7-25(8-10-26)11-12-27)24-22(28)21-14-16-3-1-2-4-20(16)29-21/h1-6,13-14,27H,7-12H2,(H,24,28)