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

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

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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)CC7CCCCO7

Isomeric SMILES

CCCC1C2=CC=CC=C2C(=O)N(C1(C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC)N6CCNCC6)CC7CCCCO7

InChI

InChI=1S/C38H46N4O3S/c1-3-13-30-28-15-5-6-16-29(28)35(43)42(26-27-14-11-12-25-45-27)38(30,41-23-21-39-22-24-41)37(36(44)40-4-2)31-17-7-9-19-33(31)46-34-20-10-8-18-32(34)37/h5-10,15-20,27,30,39H,3-4,11-14,21-26H2,1-2H3,(H,40,44)