2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C23H24N4O2S/c24-22(28)15-30-21-7-3-2-6-17(21)23(29)26-19-8-9-20(27-12-4-1-5-13-27)16-10-11-25-14-18(16)19/h2-3,6-11,14H,1,4-5,12-13,15H2,(H2,24,28)(H,26,29)