2-bromanyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H18BrN5O2S/c1-13-11-19-20(27-28(26-19)14-7-9-15(30-2)10-8-14)12-18(13)24-22(31)25-21(29)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H2,24,25,29,31)