1-[(4-fluorophenyl)methyl]-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]thiourea Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN5O2S/c1-26-17(23-16-5-3-2-4-15(16)19(26)28)10-11-18(27)24-25-20(29)22-12-13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,24,27)(H2,22,25,29)