1-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-(2-pyrrol-1-yl-1,3-benzothiazol-5-yl)ethane-1,2-dione

Systemtic Name: 1-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-(2-pyrrol-1-yl-1,3-benzothiazol-5-yl)ethane-1,2-dione Openeye Name: 1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-(2-pyrrol-1-yl-1,3-benzothiazol-5-yl)ethane-1,2-dione CAS Name: 1-(4-benzoyl-2-methyl-1-piperazinyl)-2-[2-(1-pyrrolyl)-1,3-benzothiazol-5-yl]ethane-1,2-dione IUPAC Name: 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(2-pyrrol-1-yl-1,3-benzothiazol-5-yl)ethane-1,2-dione Traditional Name: 1-(4-benzoyl-2-methyl-piperazino)-2-(2-pyrrol-1-yl-1,3-benzothiazol-5-yl)ethane-1,2-dione Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CC3=C(C=C2)SC(=N3)N4C=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C(=O)C2=CC3=C(C=C2)SC(=N3)N4C=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c1-17-16-28(23(31)18-7-3-2-4-8-18)13-14-29(17)24(32)22(30)19-9-10-21-20(15-19)26-25(33-21)27-11-5-6-12-27/h2-12,15,17H,13-14,16H2,1H3