[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C23H26N4O3S3 MolecularWeight: 502.67254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H26N4O3S3/c1-31-19-5-4-6-20-21(19)24-23(32-20)26-15-13-25(14-16-26)22(28)17-7-9-18(10-8-17)33(29,30)27-11-2-3-12-27/h4-10H,2-3,11-16H2,1H3