1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfanylphenyl)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfanylphenyl)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfanylphenyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(methylthio)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-methylsulfanylphenyl)isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(methylthio)phenyl]isoquinoline Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3S/c1-3-24-12-14-25(15-13-24)22-20-7-5-4-6-18(20)16-21(23-22)17-8-10-19(26-2)11-9-17/h4-11,16H,3,12-15H2,1-2H3