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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-13(2)11-24-20(26)15-6-4-5-7-17(15)23-21(24)28-12-18(25)14-8-9-19(27-3)16(22)10-14/h4-10,13H,11-12H2,1-3H3