2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(4-chlorophenyl)-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(4-chlorophenyl)-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(4-chlorophenyl)-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C21H17ClN4O5S MolecularWeight: 472.90148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O5S/c1-26-20(29)15(19(28)25-13-4-2-12(22)3-5-13)9-23-21(26)32-10-18(27)24-14-6-7-16-17(8-14)31-11-30-16/h2-9H,10-11H2,1H3,(H,24,27)(H,25,28)