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

Systemtic Name: 9-[3-[4-(2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1-piperazinyl]propyl]-N-ethyl-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-(2-cyclohexyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[3-[4-(2-cyclohexyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazino]propyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C38H46N4O2S MolecularWeight: 622.86244

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C7CCCCC7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C7CCCCC7)C=C5

InChI

InChI=1S/C38H46N4O2S/c1-2-39-37(44)38(32-13-6-8-15-34(32)45-35-16-9-7-14-33(35)38)20-10-21-40-23-25-41(26-24-40)30-18-17-28-19-22-42(36(43)31(28)27-30)29-11-4-3-5-12-29/h6-9,13-18,27,29H,2-5,10-12,19-26H2,1H3,(H,39,44)