4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C25H25N5O2S/c1-17-27-24(32-29-17)16-33-19-7-5-18(6-8-19)25(31)28-22-9-10-23(30-13-3-2-4-14-30)20-11-12-26-15-21(20)22/h5-12,15H,2-4,13-14,16H2,1H3,(H,28,31)