4-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(thiazol-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-thiazolylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(thiazol-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide Formula: C17H19F3N4OS2 MolecularWeight: 416.48417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC3=NC=CS3

InChI

InChI=1S/C17H19F3N4OS2/c18-17(19,20)25-14-4-2-13(3-5-14)22-16(26)24-8-1-7-23(9-10-24)12-15-21-6-11-27-15/h2-6,11H,1,7-10,12H2,(H,22,26)