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

Systemtic Name: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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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)N5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SCC(=O)N5CCCC5

InChI

InChI=1S/C27H30N4O2S/c32-26(31-16-6-7-17-31)19-34-25-9-3-2-8-21(25)27(33)29-23-10-11-24(30-14-4-1-5-15-30)20-12-13-28-18-22(20)23/h2-3,8-13,18H,1,4-7,14-17,19H2,(H,29,33)