2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c1-26-18-8-4-3-7-17(18)23-10-12-24(13-11-23)21(25)15-27-14-20-22-16-6-2-5-9-19(16)28-20/h2-9H,10-15H2,1H3