7-chloranyl-3-(3-methylbutyl)-2-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-14(2)9-12-25-20(27)17-8-7-16(22)13-18(17)23-21(25)28-15(3)19(26)24-10-5-4-6-11-24/h7-8,13-15H,4-6,9-12H2,1-3H3/t15-/m1/s1