N-[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-cyano-4-(4-oxidanylpiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-cyano-4-(4-hydroxy-1-piperidyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-cyano-4-(4-hydroxy-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-cyano-4-(4-hydroxypiperidino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)O)C#N

InChI

InChI=1S/C21H23N3O2S/c22-12-14-11-15(5-6-19(14)24-9-7-16(25)8-10-24)23-21(26)18-13-27-20-4-2-1-3-17(18)20/h5-6,11,13,16,25H,1-4,7-10H2,(H,23,26)