3-cyclopentyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

InChI

InChI=1S/C22H29N3O2S/c1-15-8-7-9-16(2)24(15)20(26)14-28-22-23-19-13-6-5-12-18(19)21(27)25(22)17-10-3-4-11-17/h5-6,12-13,15-17H,3-4,7-11,14H2,1-2H3/t15-,16-/m1/s1