[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Openeye Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Traditional Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone Formula: C22H26N4O3S4 MolecularWeight: 522.72684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H26N4O3S4/c1-30-17-7-4-8-18-20(17)23-22(32-18)25-13-11-24(12-14-25)21(27)16-6-2-3-10-26(16)33(28,29)19-9-5-15-31-19/h4-5,7-9,15-16H,2-3,6,10-14H2,1H3