5-bromanyl-N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-2-furamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

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