3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-1-(pyrrolidin-1-ylsulfanylcarbonylsulfanylmethyl)urea

Systemtic Name: 3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-1-(pyrrolidin-1-ylsulfanylcarbonylsulfanylmethyl)urea Openeye Name: 3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-1-(pyrrolidin-1-ylsulfanylcarbonylsulfanylmethyl)urea CAS Name: 3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethyl-2-pyrimidinyl)-1-[[[oxo-(1-pyrrolidinylthio)methyl]thio]methyl]urea IUPAC Name: 3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-1-(pyrrolidin-1-ylsulfanylcarbonylsulfanylmethyl)urea Traditional Name: 3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-1-[[(pyrrolidinothio)carbonylthio]methyl]urea Formula: C19H22ClN5O4S3 MolecularWeight: 516.05708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CSC(=O)SN2CCCC2)C(=O)NS(=O)(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CSC(=O)SN2CCCC2)C(=O)NS(=O)(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C19H22ClN5O4S3/c1-13-11-14(2)22-17(21-13)25(12-30-19(27)31-24-9-5-6-10-24)18(26)23-32(28,29)16-8-4-3-7-15(16)20/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H,23,26)