N-(4-methoxyphenyl)-4-[3-(phenylsulfonylamino)pyrazin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-4-[3-(phenylsulfonylamino)pyrazin-2-yl]piperazine-1-carbothioamide Openeye Name: 4-[3-(benzenesulfonamido)pyrazin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[3-(benzenesulfonamido)-2-pyrazinyl]-N-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-(benzenesulfonamido)pyrazin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-(benzenesulfonamido)pyrazin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CN=C3NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CN=C3NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3S2/c1-31-18-9-7-17(8-10-18)25-22(32)28-15-13-27(14-16-28)21-20(23-11-12-24-21)26-33(29,30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,23,26)(H,25,32)