2-(oxolan-2-ylmethylsulfanyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 2-(oxolan-2-ylmethylsulfanyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-2-(tetrahydrofuran-2-ylmethylsulfanyl)benzamide CAS Name: 2-(2-oxolanylmethylthio)-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-(oxolan-2-ylmethylsulfanyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-2-(tetrahydrofurfurylthio)benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SCC5CCCO5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SCC5CCCO5

InChI

InChI=1S/C26H29N3O2S/c30-26(21-8-2-3-9-25(21)32-18-19-7-6-16-31-19)28-23-10-11-24(29-14-4-1-5-15-29)20-12-13-27-17-22(20)23/h2-3,8-13,17,19H,1,4-7,14-16,18H2,(H,28,30)