N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-fluoro-benzamide Formula: C24H22FN5OS MolecularWeight: 447.527783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN5OS/c1-2-3-5-16-8-11-20(12-9-16)30-28-21-13-10-19(15-22(21)29-30)26-24(32)27-23(31)17-6-4-7-18(25)14-17/h4,6-15H,2-3,5H2,1H3,(H2,26,27,31,32)