2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)aniline

Systemtic Name: 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)aniline Openeye Name: 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)aniline CAS Name: 2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]aniline IUPAC Name: 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)aniline Traditional Name: [2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)phenyl]amine Formula: C23H22N4S MolecularWeight: 386.51258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2N)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2N)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C23H22N4S/c24-18-8-2-4-10-20(18)26-13-15-27(16-14-26)23-17-7-1-5-11-21(17)28-22-12-6-3-9-19(22)25-23/h1-12H,13-16,24H2