4-[5-(4-phenylpiperidin-1-yl)pentyl]-1,4-benzothiazepine-3,5-dione

Systemtic Name: 4-[5-(4-phenylpiperidin-1-yl)pentyl]-1,4-benzothiazepine-3,5-dione Openeye Name: 4-[5-(4-phenyl-1-piperidyl)pentyl]-1,4-benzothiazepine-3,5-dione CAS Name: 4-[5-(4-phenyl-1-piperidinyl)pentyl]-1,4-benzothiazepine-3,5-dione IUPAC Name: 4-[5-(4-phenylpiperidin-1-yl)pentyl]-1,4-benzothiazepine-3,5-dione Traditional Name: 4-[5-(4-phenylpiperidino)pentyl]-1,4-benzothiazepine-3,5-quinone Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCCCN3C(=O)CSC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCCCN3C(=O)CSC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H30N2O2S/c28-24-19-30-23-12-6-5-11-22(23)25(29)27(24)16-8-2-7-15-26-17-13-21(14-18-26)20-9-3-1-4-10-20/h1,3-6,9-12,21H,2,7-8,13-19H2