4-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-propyl-1-(2-thienylmethyl)-1,4-diazepan-5-one CAS Name: 4-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-propyl-1-(2-thenyl)-1,4-diazepan-5-one Formula: C13H20N2OS MolecularWeight: 252.3757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CCC1=O)CC2=CC=CS2

Isomeric SMILES

CCCN1CCN(CCC1=O)CC2=CC=CS2

InChI

InChI=1S/C13H20N2OS/c1-2-6-15-9-8-14(7-5-13(15)16)11-12-4-3-10-17-12/h3-4,10H,2,5-9,11H2,1H3