4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4O2S/c27-20(25-13-7-1-2-8-14-25)16-29-21-18-10-3-4-11-19(18)26(22(28)24-21)15-17-9-5-6-12-23-17/h5-6,9,12H,1-4,7-8,10-11,13-16H2