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

Systemtic Name: 4-bromanyl-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C24H22BrN5OS MolecularWeight: 508.43338

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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=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN5OS/c1-2-3-4-16-5-12-20(13-6-16)30-28-21-14-11-19(15-22(21)29-30)26-24(32)27-23(31)17-7-9-18(25)10-8-17/h5-15H,2-4H2,1H3,(H2,26,27,31,32)