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

Systemtic Name: N-ethyl-9-[3-[4-[2-(oxan-2-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[4-[1-oxo-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[2-(2-oxanylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[4-[2-(oxan-2-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[4-[1-keto-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]thioxanthene-9-carboxamide Formula: C38H46N4O3S MolecularWeight: 638.86184

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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)CC7CCCCO7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7CCCCO7)C=C5

InChI

InChI=1S/C38H46N4O3S/c1-2-39-37(44)38(32-11-3-5-13-34(32)46-35-14-6-4-12-33(35)38)18-9-19-40-21-23-41(24-22-40)29-16-15-28-17-20-42(36(43)31(28)26-29)27-30-10-7-8-25-45-30/h3-6,11-16,26,30H,2,7-10,17-25,27H2,1H3,(H,39,44)