[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C22H26N4O3S4 MolecularWeight: 522.72684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H26N4O3S4/c1-30-17-6-7-18-19(14-17)32-22(23-18)25-11-9-24(10-12-25)21(27)16-4-2-8-26(15-16)33(28,29)20-5-3-13-31-20/h3,5-7,13-14,16H,2,4,8-12,15H2,1H3