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

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-14(2)6-11-25-20(27)17-5-4-16(22)12-18(17)23-21(25)28-13-19(26)24-9-7-15(3)8-10-24/h4-5,12,14-15H,6-11,13H2,1-3H3