5-bromanyl-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H20BrN5O3S MolecularWeight: 526.4056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O3S/c1-13-10-14(24)11-18(21(13)32-3)22(30)26-23(33)25-15-4-9-19-20(12-15)28-29(27-19)16-5-7-17(31-2)8-6-16/h4-12H,1-3H3,(H2,25,26,30,33)