2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)CC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H24N4O3S/c29-22(9-10-28-23(30)15-17-5-1-2-6-18(17)24(28)31)27-13-11-26(12-14-27)16-21-25-19-7-3-4-8-20(19)32-21/h1-8H,9-16H2