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

Systemtic Name: 3,5-bis(bromanyl)-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H22Br2ClN5O2S MolecularWeight: 651.80048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22Br2ClN5O2S/c1-3-4-5-14-6-8-16(9-7-14)33-31-21-12-19(28)20(13-22(21)32-33)29-25(36)30-24(34)17-10-15(26)11-18(27)23(17)35-2/h6-13H,3-5H2,1-2H3,(H2,29,30,34,36)