N-[2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]methanamide

Systemtic Name: N-[2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]methanamide Openeye Name: N-[[2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]formamide CAS Name: N-[[2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-1-oxoethyl]amino]formamide IUPAC Name: N-[[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide Traditional Name: N-[[2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]acetyl]amino]formamide Formula: C18H15IN4O3S MolecularWeight: 494.30617

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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)NNC=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC=O

InChI

InChI=1S/C18H15IN4O3S/c19-13-6-7-15-14(8-13)17(26)23(9-12-4-2-1-3-5-12)18(21-15)27-10-16(25)22-20-11-24/h1-8,11H,9-10H2,(H,20,24)(H,22,25)