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

Systemtic Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Openeye Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methanone IUPAC Name: [4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Traditional Name: [4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone Formula: C21H24N4O3S4 MolecularWeight: 508.70026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H24N4O3S4/c1-29-16-6-2-7-17-19(16)22-21(31-17)24-12-10-23(11-13-24)20(26)15-5-3-9-25(15)32(27,28)18-8-4-14-30-18/h2,4,6-8,14-15H,3,5,9-13H2,1H3