4-[[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[[N-[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[[N-[[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]-oxomethyl]-4-(1-cyclohexenyl)anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[[N-[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[[N-[[7-cyano-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C31H24F3N9O2S MolecularWeight: 643.64157

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC4=NNN=N4)C(=O)NC5=NC6=C(S5)C(=CC(=C6)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC4=NNN=N4)C(=O)NC5=NC6=C(S5)C(=CC(=C6)C(F)(F)F)C#N

InChI

InChI=1S/C31H24F3N9O2S/c32-31(33,34)23-14-22(16-35)26-25(15-23)36-29(46-26)38-30(45)43(24-12-10-20(11-13-24)19-4-2-1-3-5-19)17-18-6-8-21(9-7-18)27(44)37-28-39-41-42-40-28/h4,6-15H,1-3,5,17H2,(H,36,38,45)(H2,37,39,40,41,42,44)