3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C(=C4)C)Cl)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C(=C4)C)Cl)OC

InChI

InChI=1S/C24H26ClN3O3S/c1-15-7-6-10-27(13-15)22(29)14-32-24-26-19-9-5-4-8-17(19)23(30)28(24)20-11-16(2)18(25)12-21(20)31-3/h4-5,8-9,11-12,15H,6-7,10,13-14H2,1-3H3