6-[4-(2-chloroethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine

Systemtic Name: 6-[4-(2-chloroethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[4-(2-chloroethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[4-(2-chloroethyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[4-(2-chloroethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[4-(2-chloroethyl)piperazino]benzo[b][1,4]benzothiazepine Formula: C19H20ClN3S MolecularWeight: 357.9002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCl)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CN(CCN1CCCl)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H20ClN3S/c20-9-10-22-11-13-23(14-12-22)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21-19/h1-8H,9-14H2