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

Systemtic Name: 3-(3-methylbutyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-isopentyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-isoamyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-15(2)8-13-24-20(26)17-6-4-5-7-18(17)22-21(24)27-14-19(25)23-11-9-16(3)10-12-23/h4-7,15-16H,8-14H2,1-3H3