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

Systemtic Name: N-ethyl-9-[4-[4-[2-(oxan-2-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[1-oxo-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[2-(2-oxanylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[2-(oxan-2-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-[1-keto-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]butyl]thioxanthene-9-carboxamide Formula: C39H48N4O3S MolecularWeight: 652.88842

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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)CC7CCCCO7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7CCCCO7)C=C5

InChI

InChI=1S/C39H48N4O3S/c1-2-40-38(45)39(33-12-3-5-14-35(33)47-36-15-6-4-13-34(36)39)19-8-9-20-41-22-24-42(25-23-41)30-17-16-29-18-21-43(37(44)32(29)27-30)28-31-11-7-10-26-46-31/h3-6,12-17,27,31H,2,7-11,18-26,28H2,1H3,(H,40,45)