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

Systemtic Name: 7-chloranyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-isoamyl-quinazolin-4-one Formula: C22H30ClN3O2S MolecularWeight: 436.0105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)C

InChI

InChI=1S/C22H30ClN3O2S/c1-14(2)7-8-26-21(28)18-6-5-17(23)10-19(18)24-22(26)29-13-20(27)25-11-15(3)9-16(4)12-25/h5-6,10,14-16H,7-9,11-13H2,1-4H3