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

Systemtic Name: N-ethyl-9-[3-[1-oxidanylidene-2-(1-phenylethyl)-3-piperazin-1-yl-3H-isoindol-4-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-isoindolin-4-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-(1-piperazinyl)-3H-isoindol-4-yl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-3H-isoindol-4-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[1-keto-2-(1-phenylethyl)-3-piperazino-isoindolin-4-yl]propyl]thioxanthene-9-carboxamide Formula: C39H42N4O2S MolecularWeight: 630.84138

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCC4=CC=CC5=C4C(N(C5=O)C(C)C6=CC=CC=C6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCC4=CC=CC5=C4C(N(C5=O)C(C)C6=CC=CC=C6)N7CCNCC7

InChI

InChI=1S/C39H42N4O2S/c1-3-41-38(45)39(31-18-7-9-20-33(31)46-34-21-10-8-19-32(34)39)22-12-16-29-15-11-17-30-35(29)36(42-25-23-40-24-26-42)43(37(30)44)27(2)28-13-5-4-6-14-28/h4-11,13-15,17-21,27,36,40H,3,12,16,22-26H2,1-2H3,(H,41,45)