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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H22IN3O2S/c23-17-9-10-19-18(13-17)21(28)26(14-16-7-3-1-4-8-16)22(24-19)29-15-20(27)25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2