(4-methylsulfanylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-(methylthio)phenyl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-[4-(methylthio)phenyl]methanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H25N3OS2/c1-15(2)18-5-4-6-19-20(18)23-22(28-19)25-13-11-24(12-14-25)21(26)16-7-9-17(27-3)10-8-16/h4-10,15H,11-14H2,1-3H3