3-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C26H26BrN5O2S MolecularWeight: 552.48594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O2S/c1-3-5-6-17-7-11-20(12-8-17)32-30-22-13-10-19(16-23(22)31-32)28-26(35)29-25(33)18-9-14-24(34-4-2)21(27)15-18/h7-16H,3-6H2,1-2H3,(H2,28,29,33,35)