(2,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,5-dimethylphenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (2,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,5-dimethylphenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]methanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C21H23N3OS2/c1-14-4-5-15(2)17(12-14)20(25)23-8-10-24(11-9-23)21-22-18-7-6-16(26-3)13-19(18)27-21/h4-7,12-13H,8-11H2,1-3H3