3-hexanoyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-hexanoyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-hexanoyl-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 6-iodo-3-(1-oxohexyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-hexanoyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-caproyl-6-iodo-2-thioxo-1H-quinazolin-4-one Formula: C14H15IN2O2S MolecularWeight: 402.25057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

Isomeric SMILES

CCCCCC(=O)N1C(=O)C2=C(C=CC(=C2)I)NC1=S

InChI

InChI=1S/C14H15IN2O2S/c1-2-3-4-5-12(18)17-13(19)10-8-9(15)6-7-11(10)16-14(17)20/h6-8H,2-5H2,1H3,(H,16,20)