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

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-(4-piperidinosulfonylphenyl)methanone Formula: C24H28N4O3S3 MolecularWeight: 516.69912

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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)N5CCCCC5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C24H28N4O3S3/c1-32-20-6-5-7-21-22(20)25-24(33-21)27-16-14-26(15-17-27)23(29)18-8-10-19(11-9-18)34(30,31)28-12-3-2-4-13-28/h5-11H,2-4,12-17H2,1H3