5-bromanyl-2-methoxy-3-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H20BrN5O2S MolecularWeight: 510.4062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrN5O2S/c1-13-10-19-20(28-29(27-19)16-7-5-4-6-8-16)12-18(13)25-23(32)26-22(30)17-11-15(24)9-14(2)21(17)31-3/h4-12H,1-3H3,(H2,25,26,30,32)