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

Systemtic Name: 5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[(4-fluorophenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C14H11FN3O2S2- MolecularWeight: 336.384443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)F)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=C(C=C1)F)/C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C14H12FN3O2S2/c1-8(11-6-7-12(22-11)13(19)20)17-18-14(21)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,19,20)(H2,16,18,21)/p-1/b17-8-