2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=NN=NN4C5CC5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=NN=NN4C5CC5

InChI

InChI=1S/C20H23N7OS/c28-19(13-29-20-23-24-25-27(20)14-4-5-14)22-17-6-7-18(26-10-2-1-3-11-26)15-8-9-21-12-16(15)17/h6-9,12,14H,1-5,10-11,13H2,(H,22,28)