3-[(2S)-butan-2-yl]-2-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-4-13(2)24-20(26)15-7-5-6-8-17(15)23-21(24)28-12-18(25)14-9-10-19(27-3)16(22)11-14/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1