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

Systemtic Name: 3,5-bis(bromanyl)-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H16Br2ClN5O3S MolecularWeight: 625.72014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br)Cl

InChI

InChI=1S/C22H16Br2ClN5O3S/c1-32-19-6-4-13(10-16(19)25)30-28-17-5-3-12(9-18(17)29-30)26-22(34)27-21(31)14-7-11(23)8-15(24)20(14)33-2/h3-10H,1-2H3,(H2,26,27,31,34)