3-(3,5-dimethylphenyl)-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C

InChI

InChI=1S/C27H26N4O4S/c1-18-14-19(2)16-20(15-18)31-25(33)21-6-3-4-7-22(21)28-27(31)36-17-24(32)29-9-11-30(12-10-29)26(34)23-8-5-13-35-23/h3-8,13-16H,9-12,17H2,1-2H3