N-[2,4-bis(fluoranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C13H17F2N3S MolecularWeight: 285.355986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N3S/c1-17-5-2-6-18(8-7-17)13(19)16-12-4-3-10(14)9-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,16,19)