2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-28(2)24(30)17-32-23-9-5-4-8-19(23)25(31)27-21-10-11-22(29-14-6-3-7-15-29)18-12-13-26-16-20(18)21/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3,(H,27,31)