5-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-2-furamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H15BrN4O2S/c1-10-9-11(2)21-17(20-10)23-18(26)22-16(24)15-8-7-14(25-15)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H2,20,21,22,23,24,26)