6-[4-(3,4-dimethoxybutyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine

Systemtic Name: 6-[4-(3,4-dimethoxybutyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[4-(3,4-dimethoxybutyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[4-(3,4-dimethoxybutyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[4-(3,4-dimethoxybutyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[4-(3,4-dimethoxybutyl)piperazino]benzo[b][1,4]benzothiazepine Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42)OC

Isomeric SMILES

COCC(CCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42)OC

InChI

InChI=1S/C23H29N3O2S/c1-27-17-18(28-2)11-12-25-13-15-26(16-14-25)23-19-7-3-5-9-21(19)29-22-10-6-4-8-20(22)24-23/h3-10,18H,11-17H2,1-2H3