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

Systemtic Name: 6-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[(3S)-4-methyl-3-phenethyl-piperazino]benzo[b][1,4]benzothiazepine Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CCC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CN1CCN(C[C@@H]1CCC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H27N3S/c1-28-17-18-29(19-21(28)16-15-20-9-3-2-4-10-20)26-22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)27-26/h2-14,21H,15-19H2,1H3/t21-/m0/s1