N-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-(1,3-dioxo-2-isoindolyl)-2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]-N-phthalimido-acetamide Formula: C25H17IN4O4S MolecularWeight: 596.39635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17IN4O4S/c26-16-10-11-20-19(12-16)22(32)29(13-15-6-2-1-3-7-15)25(27-20)35-14-21(31)28-30-23(33)17-8-4-5-9-18(17)24(30)34/h1-12H,13-14H2,(H,28,31)