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

Systemtic Name: butanedioic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Openeye Name: 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; succinic acid CAS Name: butanedioic acid; 6-(1-piperazinyl)benzo[b][1,4]benzothiazepine IUPAC Name: butanedioic acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Traditional Name: 6-piperazinobenzo[b][1,4]benzothiazepine; succinic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3S.C4H6O4/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;5-3(6)1-2-4(7)8/h1-8,18H,9-12H2;1-2H2,(H,5,6)(H,7,8)