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

Systemtic Name: 6-chloranyl-2-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H21ClN2O2S/c1-4-12-25-21(27)18-13-17(23)10-11-19(18)24-22(25)28-14(3)20(26)16-8-6-15(5-2)7-9-16/h4,6-11,13-14H,1,5,12H2,2-3H3/t14-/m0/s1