2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-(4-methylpiperazine-1-carbonyl)-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC=C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC=C

InChI

InChI=1S/C25H25ClN4O3S/c1-3-10-30-24(33)20-9-6-18(23(32)29-13-11-28(2)12-14-29)15-21(20)27-25(30)34-16-22(31)17-4-7-19(26)8-5-17/h3-9,15H,1,10-14,16H2,2H3