3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperazino]-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O3S/c1-29-16-8-6-15(7-9-16)26-20(27)14-18(21(26)28)24-10-12-25(13-11-24)22-23-17-4-2-3-5-19(17)30-22/h2-9,14H,10-13H2,1H3