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

Systemtic Name: 3-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-13-8-9-14(11-17(13)22)19(26)25-21(29)24-18-7-3-2-6-16(18)20(27)23-12-15-5-4-10-28-15/h2-11H,12H2,1H3,(H,23,27)(H2,24,25,26,29)