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

Systemtic Name: N-ethyl-9-[4-[2-[(3-methoxyphenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-(1-piperazinyl)-3,4-dihydroisoquinolin-4-yl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[2-[(3-methoxyphenyl)methyl]-1-oxo-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-(1-keto-2-m-anisyl-3-piperazino-3,4-dihydroisoquinolin-4-yl)butyl]thioxanthene-9-carboxamide Formula: C41H46N4O3S MolecularWeight: 674.89394

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCC4C(N(C(=O)C5=CC=CC=C45)CC6=CC(=CC=C6)OC)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCC4C(N(C(=O)C5=CC=CC=C45)CC6=CC(=CC=C6)OC)N7CCNCC7

InChI

InChI=1S/C41H46N4O3S/c1-3-43-40(47)41(34-18-6-8-20-36(34)49-37-21-9-7-19-35(37)41)22-11-10-16-32-31-15-4-5-17-33(31)39(46)45(38(32)44-25-23-42-24-26-44)28-29-13-12-14-30(27-29)48-2/h4-9,12-15,17-21,27,32,38,42H,3,10-11,16,22-26,28H2,1-2H3,(H,43,47)