3,5-bis(bromanyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H25Br2N5O2S MolecularWeight: 631.382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br)C

InChI

InChI=1S/C26H25Br2N5O2S/c1-4-5-6-16-7-9-18(10-8-16)33-31-22-11-15(2)21(14-23(22)32-33)29-26(36)30-25(34)19-12-17(27)13-20(28)24(19)35-3/h7-14H,4-6H2,1-3H3,(H2,29,30,34,36)