1-azanyl-3-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1-methyl-thiourea

Systemtic Name: 1-azanyl-3-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1-methyl-thiourea Openeye Name: 1-amino-3-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1-methyl-thiourea CAS Name: 1-amino-3-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1-methylthiourea IUPAC Name: 1-amino-3-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1-methylthiourea Traditional Name: 1-amino-3-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)-1-methyl-thiourea Formula: C13H13FN4O2S MolecularWeight: 308.331323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)N

Isomeric SMILES

CN(C(=S)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)N

InChI

InChI=1S/C13H13FN4O2S/c1-3-4-18-10-6-9(16-13(21)17(2)15)8(14)5-11(10)20-7-12(18)19/h1,5-6H,4,7,15H2,2H3,(H,16,21)