4-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]thiomorpholine

Systemtic Name: 4-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]thiomorpholine Openeye Name: 4-[[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl]thiomorpholine CAS Name: 4-[[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl]thiomorpholine IUPAC Name: 4-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]thiomorpholine Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl]thiomorpholine Formula: C26H32N4S MolecularWeight: 432.62408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CN5CCSCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CN5CCSCC5

InChI

InChI=1S/C26H32N4S/c1-2-28-11-13-30(14-12-28)26-24-6-4-3-5-23(24)19-25(27-26)22-9-7-21(8-10-22)20-29-15-17-31-18-16-29/h3-10,19H,2,11-18,20H2,1H3