4-[[(4-tert-butylcyclohexyl)-[[3-thiophen-3-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[[(4-tert-butylcyclohexyl)-[[3-thiophen-3-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[[(4-tert-butylcyclohexyl)-[[3-(3-thienyl)-5-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[[(4-tert-butylcyclohexyl)-[oxo-[3-(3-thiophenyl)-5-(trifluoromethyl)anilino]methyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[[(4-tert-butylcyclohexyl)-[[3-thiophen-3-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[[(4-tert-butylcyclohexyl)-[[3-(3-thienyl)-5-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C31H34F3N7O2S MolecularWeight: 625.70757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C5=CSC=C5

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C5=CSC=C5

InChI

InChI=1S/C31H34F3N7O2S/c1-30(2,3)23-8-10-26(11-9-23)41(17-19-4-6-20(7-5-19)27(42)36-28-37-39-40-38-28)29(43)35-25-15-22(21-12-13-44-18-21)14-24(16-25)31(32,33)34/h4-7,12-16,18,23,26H,8-11,17H2,1-3H3,(H,35,43)(H2,36,37,38,39,40,42)