N-[4-[[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(tetrahydrofuran-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(tetrahydrofurfurylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C20H30N4O2S/c1-16(25)22-18-7-5-17(6-8-18)15-23-9-3-10-24(12-11-23)20(27)21-14-19-4-2-13-26-19/h5-8,19H,2-4,9-15H2,1H3,(H,21,27)(H,22,25)