O-[3-iodanyl-2-[3-(4-isoquinolin-4-ylpiperidin-1-yl)propoxy]phenyl] methanethioate

Systemtic Name: O-[3-iodanyl-2-[3-(4-isoquinolin-4-ylpiperidin-1-yl)propoxy]phenyl] methanethioate Openeye Name: O-[3-iodo-2-[3-[4-(4-isoquinolyl)-1-piperidyl]propoxy]phenyl] methanethioate CAS Name: methanethioic acid O-[3-iodo-2-[3-[4-(4-isoquinolinyl)-1-piperidinyl]propoxy]phenyl] ester IUPAC Name: O-[3-iodo-2-[3-(4-isoquinolin-4-ylpiperidin-1-yl)propoxy]phenyl] methanethioate Traditional Name: methanethioic acid O-[3-iodo-2-[3-[4-(4-isoquinolyl)piperidino]propoxy]phenyl] ester Formula: C24H25IN2O2S MolecularWeight: 532.43697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN=CC3=CC=CC=C32)CCCOC4=C(C=CC=C4I)OC=S

Isomeric SMILES

C1CN(CCC1C2=CN=CC3=CC=CC=C32)CCCOC4=C(C=CC=C4I)OC=S

InChI

InChI=1S/C24H25IN2O2S/c25-22-7-3-8-23(29-17-30)24(22)28-14-4-11-27-12-9-18(10-13-27)21-16-26-15-19-5-1-2-6-20(19)21/h1-3,5-8,15-18H,4,9-14H2