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

Systemtic Name: 4-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H24BrN5OS MolecularWeight: 522.45996

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN5OS/c1-3-4-5-17-6-12-20(13-7-17)31-29-22-14-16(2)21(15-23(22)30-31)27-25(33)28-24(32)18-8-10-19(26)11-9-18/h6-15H,3-5H2,1-2H3,(H2,27,28,32,33)