N-ethyl-9-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-(1-piperazinyl)-4-propyl-4H-isoquinolin-3-yl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-(1-keto-2-m-anisyl-3-piperazino-4-propyl-4H-isoquinolin-3-yl)thioxanthene-9-carboxamide Formula: C40H44N4O3S MolecularWeight: 660.86736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(=O)N(C1(C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC)N6CCNCC6)CC7=CC(=CC=C7)OC

Isomeric SMILES

CCCC1C2=CC=CC=C2C(=O)N(C1(C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC)N6CCNCC6)CC7=CC(=CC=C7)OC

InChI

InChI=1S/C40H44N4O3S/c1-4-13-32-30-16-6-7-17-31(30)37(45)44(27-28-14-12-15-29(26-28)47-3)40(32,43-24-22-41-23-25-43)39(38(46)42-5-2)33-18-8-10-20-35(33)48-36-21-11-9-19-34(36)39/h6-12,14-21,26,32,41H,4-5,13,22-25,27H2,1-3H3,(H,42,46)