2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C17H21N3O2S/c1-11-7-12(2)9-20(8-11)15(21)10-23-17-18-14-6-4-3-5-13(14)16(22)19-17/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,22)