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

Systemtic Name: 3-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H28BrN5O2S MolecularWeight: 566.51252

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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(=C(C=C4)OCC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN5O2S/c1-4-6-7-18-8-11-20(12-9-18)33-31-23-14-17(3)22(16-24(23)32-33)29-27(36)30-26(34)19-10-13-25(35-5-2)21(28)15-19/h8-16H,4-7H2,1-3H3,(H2,29,30,34,36)