S-butyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate

Systemtic Name: S-butyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Openeye Name: S-butyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate CAS Name: 2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzenecarbothioic acid S-butyl ester IUPAC Name: S-butyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Traditional Name: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]thiobenzoic acid S-butyl ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)C

Isomeric SMILES

CCCCSC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)C

InChI

InChI=1S/C18H22N4O5S2/c1-4-5-10-28-16(23)13-8-6-7-9-14(13)29(25,26)22-18(24)21-17-19-12(2)11-15(20-17)27-3/h6-9,11H,4-5,10H2,1-3H3,(H2,19,20,21,22,24)