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

Systemtic Name: 7-chloranyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-13(2)9-25-20(27)17-6-5-16(22)8-18(17)23-21(25)28-12-19(26)24-10-14(3)7-15(4)11-24/h5-6,8,13-15H,7,9-12H2,1-4H3