[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone

Systemtic Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone Openeye Name: (4-isopropylsulfanylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(propan-2-ylthio)phenyl]methanone IUPAC Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone Traditional Name: [4-(isopropylthio)phenyl]-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S3/c1-15(2)29-17-6-4-16(5-7-17)21(26)24-10-12-25(13-11-24)22-23-19-9-8-18(31(3,27)28)14-20(19)30-22/h4-9,14-15H,10-13H2,1-3H3