2-(4-bromanylphenoxy)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C24H22BrN5O3S MolecularWeight: 540.43218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C24H22BrN5O3S/c1-3-32-18-10-6-17(7-11-18)30-28-21-12-15(2)20(13-22(21)29-30)26-24(34)27-23(31)14-33-19-8-4-16(25)5-9-19/h4-13H,3,14H2,1-2H3,(H2,26,27,31,34)