6-[(3R)-4-methyl-3-(phenylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine

Systemtic Name: 6-[(3R)-4-methyl-3-(phenylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[(3R)-3-benzyl-4-methyl-piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[(3R)-4-methyl-3-(phenylmethyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[(3R)-3-benzyl-4-methylpiperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[(3R)-3-benzyl-4-methyl-piperazino]benzo[b][1,4]benzothiazepine Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CN1CCN(C[C@H]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H25N3S/c1-27-15-16-28(18-20(27)17-19-9-3-2-4-10-19)25-21-11-5-7-13-23(21)29-24-14-8-6-12-22(24)26-25/h2-14,20H,15-18H2,1H3/t20-/m1/s1