2-[2-[4-(3-phenylmethoxy-2-sulfanyl-propyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(3-phenylmethoxy-2-sulfanyl-propyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(3-benzyloxy-2-sulfanyl-propyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2-mercapto-3-phenylmethoxypropyl)-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(3-phenylmethoxy-2-sulfanylpropyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(3-benzoxy-2-mercapto-propyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC=CC=C5)S

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC=CC=C5)S

InChI

InChI=1S/C28H31N3O3S/c32-27-24-10-4-8-22-9-5-11-25(26(22)24)28(33)31(27)17-16-29-12-14-30(15-13-29)18-23(35)20-34-19-21-6-2-1-3-7-21/h1-11,23,35H,12-20H2