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

Systemtic Name: 5-bromanyl-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H17BrClN5O3S MolecularWeight: 546.82408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H17BrClN5O3S/c1-31-19-7-3-12(23)9-15(19)21(30)26-22(33)25-13-4-6-17-18(10-13)28-29(27-17)14-5-8-20(32-2)16(24)11-14/h3-11H,1-2H3,(H2,25,26,30,33)