7-chloranyl-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-2-p-phenetyl-ethyl)thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C22H23ClN2O4S/c1-3-29-17-8-5-15(6-9-17)20(26)14-30-22-24-19-13-16(23)7-10-18(19)21(27)25(22)11-4-12-28-2/h5-10,13H,3-4,11-12,14H2,1-2H3