N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]acetamide Formula: C21H21IN2O3S MolecularWeight: 508.37251

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2CC(=O)N(C2=O)C3=CC=C(C=C3)I)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2CC(=O)N(C2=O)C3=CC=C(C=C3)I)C

InChI

InChI=1S/C21H21IN2O3S/c1-3-14-6-4-5-13(2)20(14)23-18(25)12-28-17-11-19(26)24(21(17)27)16-9-7-15(22)8-10-16/h4-10,17H,3,11-12H2,1-2H3,(H,23,25)