6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine

Systemtic Name: 6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Openeye Name: 6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine CAS Name: 6-(1-piperazinyl)-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine IUPAC Name: 6-piperazin-1-yl-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Traditional Name: 6-piperazino-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CN3C=CC=C3SC4=CC=CC=C24

Isomeric SMILES

C1CN(CCN1)C2CN3C=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C16H19N3S/c1-2-5-15-13(4-1)14(18-10-7-17-8-11-18)12-19-9-3-6-16(19)20-15/h1-6,9,14,17H,7-8,10-12H2