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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H26BrN5O2S MolecularWeight: 552.48594

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

Isomeric SMILES

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

InChI

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