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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H24BrN5O2S MolecularWeight: 538.45936

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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=C(C=CC(=C4)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN5O2S/c1-3-4-5-16-6-10-19(11-7-16)31-29-21-12-9-18(15-22(21)30-31)27-25(34)28-24(32)20-14-17(26)8-13-23(20)33-2/h6-15H,3-5H2,1-2H3,(H2,27,28,32,34)