N-(4-methylphenyl)-2-[2-oxidanylidene-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-oxidanylidene-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-oxo-2-[[5-(1-piperidyl)-8-isoquinolyl]amino]ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-oxo-2-[[5-(1-piperidinyl)-8-isoquinolinyl]amino]ethyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-oxo-2-[(5-piperidin-1-ylisoquinolin-8-yl)amino]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[(5-piperidino-8-isoquinolyl)amino]ethyl]thio]-N-(p-tolyl)acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-18-5-7-19(8-6-18)27-24(30)16-32-17-25(31)28-22-9-10-23(29-13-3-2-4-14-29)20-11-12-26-15-21(20)22/h5-12,15H,2-4,13-14,16-17H2,1H3,(H,27,30)(H,28,31)