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

Systemtic Name: 6-[(3S)-3-phenethylpiperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[(3S)-3-phenethylpiperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[(3S)-3-phenethyl-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[(3S)-3-phenethylpiperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[(3S)-3-phenethylpiperazino]benzo[b][1,4]benzothiazepine Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CCC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(C[C@@H](N1)CCC2=CC=CC=C2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H25N3S/c1-2-8-19(9-3-1)14-15-20-18-28(17-16-26-20)25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)27-25/h1-13,20,26H,14-18H2/t20-/m0/s1