4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(4-pyridylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-pyridylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide Formula: C19H21F3N4OS MolecularWeight: 410.45645

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=NC=C3

InChI

InChI=1S/C19H21F3N4OS/c20-19(21,22)27-17-4-2-16(3-5-17)24-18(28)26-11-1-10-25(12-13-26)14-15-6-8-23-9-7-15/h2-9H,1,10-14H2,(H,24,28)