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

Systemtic Name: 2-[[1-(3-phenylmethoxy-2-sulfanyl-propyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-(3-benzyloxy-2-sulfanyl-propyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-(2-mercapto-3-phenylmethoxypropyl)-4-piperidinyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-(3-phenylmethoxy-2-sulfanylpropyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-(3-benzoxy-2-mercapto-propyl)-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC=CC=C5)S

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC=CC=C5)S

InChI

InChI=1S/C28H30N2O3S/c31-27-24-10-4-8-22-9-5-11-25(26(22)24)28(32)30(27)16-20-12-14-29(15-13-20)17-23(34)19-33-18-21-6-2-1-3-7-21/h1-11,20,23,34H,12-19H2