3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-thiadiazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-thiadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methylpiperazin-1-yl)-2-naphthyl]oxymethyl]-1,2,4-thiadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methyl-1-piperazinyl)-2-naphthalenyl]oxymethyl]-1,2,4-thiadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-thiadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[7-methyl-8-(4-methylpiperazino)-2-naphthoxy]methyl]-1,2,4-thiadiazole Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=CC(=C2)OCC3=NC(=NS3)C4=CC=C(C=C4)OC)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=CC(=C2)OCC3=NC(=NS3)C4=CC=C(C=C4)OC)N5CCN(CC5)C

InChI

InChI=1S/C26H28N4O2S/c1-18-4-5-19-6-11-22(16-23(19)25(18)30-14-12-29(2)13-15-30)32-17-24-27-26(28-33-24)20-7-9-21(31-3)10-8-20/h4-11,16H,12-15,17H2,1-3H3