9-[4-[4-(2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethyl-thioxanthene-9-carboxamide

Systemtic Name: 9-[4-[4-(2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethyl-thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: 9-[4-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1-piperazinyl]butyl]-N-ethyl-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[4-[4-(2-cyclohexyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazino]butyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C39H48N4O2S MolecularWeight: 636.88902

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C7CCCCC7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C7CCCCC7)C=C5

InChI

InChI=1S/C39H48N4O2S/c1-2-40-38(45)39(33-14-6-8-16-35(33)46-36-17-9-7-15-34(36)39)21-10-11-22-41-24-26-42(27-25-41)31-19-18-29-20-23-43(37(44)32(29)28-31)30-12-4-3-5-13-30/h6-9,14-19,28,30H,2-5,10-13,20-27H2,1H3,(H,40,45)