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

Systemtic Name: 6-[(3S)-3-(phenylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[(3S)-3-benzylpiperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[(3S)-3-(phenylmethyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[(3S)-3-benzylpiperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[(3S)-3-benzylpiperazino]benzo[b][1,4]benzothiazepine Formula: C24H23N3S MolecularWeight: 385.52452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(C[C@@H](N1)CC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H23N3S/c1-2-8-18(9-3-1)16-19-17-27(15-14-25-19)24-20-10-4-6-12-22(20)28-23-13-7-5-11-21(23)26-24/h1-13,19,25H,14-17H2/t19-/m0/s1