benzoic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine

Systemtic Name: benzoic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Openeye Name: benzoic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine CAS Name: benzoic acid; 6-(1-piperazinyl)benzo[b][1,4]benzothiazepine IUPAC Name: benzoic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Traditional Name: benzoic acid; 6-piperazinobenzo[b][1,4]benzothiazepine Formula: C24H23N3O2S MolecularWeight: 417.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H17N3S.C7H6O2/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;8-7(9)6-4-2-1-3-5-6/h1-8,18H,9-12H2;1-5H,(H,8,9)