N-ethyl-9-[3-[4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[3-[4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]propyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[3-[4-(2-benzyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazino]propyl]-N-ethyl-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)CCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7=CC=CC=C7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7=CC=CC=C7)C=C5

InChI

InChI=1S/C39H42N4O2S/c1-2-40-38(45)39(33-13-6-8-15-35(33)46-36-16-9-7-14-34(36)39)20-10-21-41-23-25-42(26-24-41)31-18-17-30-19-22-43(37(44)32(30)27-31)28-29-11-4-3-5-12-29/h3-9,11-18,27H,2,10,19-26,28H2,1H3,(H,40,45)