2-(4-acetamidophenyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C24H26N4O2S/c1-17(29)26-18-5-7-19(8-6-18)31-16-24(30)27-22-9-10-23(28-13-3-2-4-14-28)20-11-12-25-15-21(20)22/h5-12,15H,2-4,13-14,16H2,1H3,(H,26,29)(H,27,30)