3-bromanyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-28-18-9-6-14(11-17(18)22)20(27)25-21(30)24-15-7-4-13(5-8-15)19(26)23-12-16-3-2-10-29-16/h2-11H,12H2,1H3,(H,23,26)(H2,24,25,27,30)