5-bromanyl-2-methoxy-3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)OC

InChI

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