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

Systemtic Name: (3,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-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(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC)C

Isomeric SMILES

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

InChI

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