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

Systemtic Name: 3-bromanyl-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C26H25BrClN5O2S MolecularWeight: 586.931

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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(=C(C=C4)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrClN5O2S/c1-3-5-6-16-7-10-18(11-8-16)33-31-22-14-20(28)21(15-23(22)32-33)29-26(36)30-25(34)17-9-12-24(35-4-2)19(27)13-17/h7-15H,3-6H2,1-2H3,(H2,29,30,34,36)