5-bromanyl-2-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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