3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,1-dioxo-N-(p-tolyl)benzothiophene-2-carboxamide CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(4-methylphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide Traditional Name: 1,1-diketo-3-[4-(4-methoxyphenyl)piperazino]-N-(p-tolyl)benzothiophene-2-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H27N3O4S/c1-19-7-9-20(10-8-19)28-27(31)26-25(23-5-3-4-6-24(23)35(26,32)33)30-17-15-29(16-18-30)21-11-13-22(34-2)14-12-21/h3-14H,15-18H2,1-2H3,(H,28,31)