2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c22-16-6-7-19-18(14-16)23-21(29-19)28-15-20(26)25-10-8-24(9-11-25)12-13-27-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2