3-(3-chloranyl-2-methyl-phenyl)-2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C24H27ClN4O2S/c1-4-27-12-14-28(15-13-27)22(30)17(3)32-24-26-20-10-6-5-8-18(20)23(31)29(24)21-11-7-9-19(25)16(21)2/h5-11,17H,4,12-15H2,1-3H3