4-[(4-tert-butylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[(4-tert-butylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[(4-tert-butylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[(4-tert-butylphenyl)-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[(4-tert-butylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[(4-tert-butylphenyl)-[[4-(trifluoromethylthio)phenyl]carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C27H26F3N7O2S MolecularWeight: 569.60125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(=O)NC3=NNN=N3)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(=O)NC3=NNN=N3)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C27H26F3N7O2S/c1-26(2,3)19-10-8-17(9-11-19)22(16-4-6-18(7-5-16)23(38)33-24-34-36-37-35-24)32-25(39)31-20-12-14-21(15-13-20)40-27(28,29)30/h4-15,22H,1-3H3,(H2,31,32,39)(H2,33,34,35,36,37,38)