3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-2H-phthalazine-1,4-quinone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H18N4O4S/c24-16(12-23-18(26)14-5-2-1-4-13(14)17(25)20-23)21-7-9-22(10-8-21)19(27)15-6-3-11-28-15/h1-6,11H,7-10,12H2,(H,20,25)