6-chloranyl-2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]thio]quinazolin-4-one Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)OC)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O3S/c1-4-11-24-20(26)17-12-15(22)7-10-18(17)23-21(24)28-13(2)19(25)14-5-8-16(27-3)9-6-14/h4-10,12-13H,1,11H2,2-3H3/t13-/m1/s1