N-[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]-N-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]-N-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-cyano-4-(4-hydroxy-1-piperidyl)phenyl]-N-methyl-benzothiophene-2-carboxamide CAS Name: N-[3-cyano-4-(4-hydroxy-1-piperidinyl)phenyl]-N-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-N-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[3-cyano-4-(4-hydroxypiperidino)phenyl]-N-methyl-benzothiophene-2-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)N2CCC(CC2)O)C#N)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CN(C1=CC(=C(C=C1)N2CCC(CC2)O)C#N)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O2S/c1-24(22(27)21-13-15-4-2-3-5-20(15)28-21)17-6-7-19(16(12-17)14-23)25-10-8-18(26)9-11-25/h2-7,12-13,18,26H,8-11H2,1H3