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

Systemtic Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Openeye Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methanone IUPAC Name: [4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Traditional Name: [4-[6-(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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H24N4O3S4/c1-29-15-6-7-16-18(14-15)31-21(22-16)24-11-9-23(10-12-24)20(26)17-4-2-8-25(17)32(27,28)19-5-3-13-30-19/h3,5-7,13-14,17H,2,4,8-12H2,1H3