methyl N-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamate Openeye Name: methyl N-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamate CAS Name: N-[[[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]carbamate Traditional Name: N-[[3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C12H12FN3O3S MolecularWeight: 297.305383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C=CC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)C=CC1=CC=C(C=C1)F

InChI

InChI=1S/C12H12FN3O3S/c1-19-12(18)16-15-11(20)14-10(17)7-4-8-2-5-9(13)6-3-8/h2-7H,1H3,(H,16,18)(H2,14,15,17,20)