S-methyl 2-[(5-chloranyl-4,6-dimethyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate

Systemtic Name: S-methyl 2-[(5-chloranyl-4,6-dimethyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Openeye Name: S-methyl 2-[(5-chloro-4,6-dimethyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate CAS Name: 2-[[[(5-chloro-4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-[(5-chloro-4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Traditional Name: 2-[(5-chloro-4,6-dimethyl-pyrimidin-2-yl)carbamoylsulfamoyl]thiobenzoic acid S-methyl ester Formula: C15H15ClN4O4S2 MolecularWeight: 414.887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)SC)C)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)SC)C)Cl

InChI

InChI=1S/C15H15ClN4O4S2/c1-8-12(16)9(2)18-14(17-8)19-15(22)20-26(23,24)11-7-5-4-6-10(11)13(21)25-3/h4-7H,1-3H3,(H2,17,18,19,20,22)