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

Systemtic Name: (2-methylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-(o-tolyl)methanone Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C20H21N3OS2/c1-14-5-3-4-6-16(14)19(24)22-9-11-23(12-10-22)20-21-17-8-7-15(25-2)13-18(17)26-20/h3-8,13H,9-12H2,1-2H3