4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C22H21ClF3N5OS MolecularWeight: 495.94825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClF3N5OS/c23-16-8-6-15(7-9-16)14-19-28-21(33-29-19)31-11-3-10-30(12-13-31)20(32)27-18-5-2-1-4-17(18)22(24,25)26/h1-2,4-9H,3,10-14H2,(H,27,32)