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6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; undec-10-enoic acid

6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; undec-10-enoic acid

Systemtic Name:6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; undec-10-enoic acid
Openeye Name:6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; undec-10-enoic acid
CAS Name:6-(1-piperazinyl)benzo[b][1,4]benzothiazepine; 10-undecenoic acid
IUPAC Name:6-piperazin-1-ylbenzo[b][1,4]benzothiazepine; undec-10-enoic acid
Traditional Name:6-piperazinobenzo[b][1,4]benzothiazepine; undec-10-enoic acid
Formula: C28H37N3O2S
MolecularWeight: 479.67728
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H17N3S.C11H20O2/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;1-2-3-4-5-6-7-8-9-10-11(12)13/h1-8,18H,9-12H2;2H,1,3-10H2,(H,12,13)


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