2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H23N3OS2/c1-15-6-5-8-18(16(15)2)23-10-12-24(13-11-23)20(25)14-26-21-22-17-7-3-4-9-19(17)27-21/h3-9H,10-14H2,1-2H3