5-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[(4-fluorobenzyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C15H13FN3O2S2- MolecularWeight: 350.411023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=C(C=C1)F)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=C(C=C1)F)/C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C15H14FN3O2S2/c1-9(12-6-7-13(23-12)14(20)21)18-19-15(22)17-8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,20,21)(H2,17,19,22)/p-1/b18-9-