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

Systemtic Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfanylphenyl)methanone Openeye Name: (3-isopropylsulfanylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[3-(propan-2-ylthio)phenyl]methanone IUPAC Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfanylphenyl)methanone Traditional Name: [3-(isopropylthio)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)SC(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)SC(C)C

InChI

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