6-iodanyl-3-(4-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(4-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 6-iodo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 6-iodo-3-(4-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 6-iodo-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 6-iodo-2-[(2-keto-2-piperidino-ethyl)thio]-3-(p-tolyl)quinazolin-4-one Formula: C22H22IN3O2S MolecularWeight: 519.39845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H22IN3O2S/c1-15-5-8-17(9-6-15)26-21(28)18-13-16(23)7-10-19(18)24-22(26)29-14-20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3