8-chloranyl-6-(4-ethylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine

Systemtic Name: 8-chloranyl-6-(4-ethylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine Openeye Name: 8-chloro-6-(4-ethylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine CAS Name: 8-chloro-6-(4-ethyl-1-piperazinyl)pyrrolo[2,1-b][1,3]benzothiazepine IUPAC Name: 8-chloro-6-(4-ethylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine Traditional Name: 8-chloro-6-(4-ethylpiperazino)pyrrolo[2,1-b][1,3]benzothiazepine Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CN3C=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CN3C=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12-13H,2,8-11H2,1H3