1-[2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]thiourea

Systemtic Name: 1-[2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]thiourea Openeye Name: [[2-(6-iodo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]thiourea CAS Name: [[2-[(6-iodo-4-oxo-3-phenyl-2-quinazolinyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: [[2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]thiourea Traditional Name: [[2-[(6-iodo-4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]thiourea Formula: C17H14IN5O2S2 MolecularWeight: 511.35983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=S)N

InChI

InChI=1S/C17H14IN5O2S2/c18-10-6-7-13-12(8-10)15(25)23(11-4-2-1-3-5-11)17(20-13)27-9-14(24)21-22-16(19)26/h1-8H,9H2,(H,21,24)(H3,19,22,26)