3-nitro-4-[2-oxidanylidene-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[5-(1-piperidyl)-8-isoquinolyl]amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[(5-piperidino-8-isoquinolyl)amino]ethyl]thio]-3-nitro-benzamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S/c24-23(30)15-4-7-21(20(12-15)28(31)32)33-14-22(29)26-18-5-6-19(27-10-2-1-3-11-27)16-8-9-25-13-17(16)18/h4-9,12-13H,1-3,10-11,14H2,(H2,24,30)(H,26,29)