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

Systemtic Name: 3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(3,5-dimethyl-1-piperidyl)-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-(3,5-dimethyl-1-piperidinyl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(3,5-dimethylpiperidino)-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C19H25N3O2S/c1-13-10-14(2)12-21(11-13)17(23)8-5-9-22-18(24)15-6-3-4-7-16(15)20-19(22)25/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,20,25)