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

Systemtic Name: N-ethyl-9-[3-[1-oxidanylidene-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-(1-piperazinyl)-3,4-dihydroisoquinolin-4-yl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-keto-2-(1-phenylethyl)-3-piperazino-3,4-dihydroisoquinolin-4-yl]propyl]thioxanthene-9-carboxamide Formula: C40H44N4O2S MolecularWeight: 644.86796

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCC4C(N(C(=O)C5=CC=CC=C45)C(C)C6=CC=CC=C6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCC4C(N(C(=O)C5=CC=CC=C45)C(C)C6=CC=CC=C6)N7CCNCC7

InChI

InChI=1S/C40H44N4O2S/c1-3-42-39(46)40(33-19-9-11-21-35(33)47-36-22-12-10-20-34(36)40)23-13-18-31-30-16-7-8-17-32(30)38(45)44(28(2)29-14-5-4-6-15-29)37(31)43-26-24-41-25-27-43/h4-12,14-17,19-22,28,31,37,41H,3,13,18,23-27H2,1-2H3,(H,42,46)