5-bromanyl-N-[[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[sulfanylidene-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)anilino]methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(O1)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)(C)C)C

Isomeric SMILES

CC1(C(OC(O1)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)(C)C)C

InChI

InChI=1S/C20H22BrN3O3S/c1-19(2)20(3,4)27-17(26-19)12-6-5-7-15(9-12)23-18(28)24-16(25)13-8-14(21)11-22-10-13/h5-11,17H,1-4H3,(H2,23,24,25,28)