N-(oxolan-2-ylmethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5O2S/c28-20(21-14-17-8-4-13-26-17)25-10-5-9-24(11-12-25)15-18-22-19(27-23-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,21,28)