3-[4-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate

Systemtic Name: 3-[4-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate Openeye Name: 3-[4-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoate CAS Name: 3-[4-[(1Z)-1-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoate IUPAC Name: 3-[4-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate Traditional Name: 3-[4-[(Z)-N-[(4-fluorobenzyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionate Formula: C18H19FN3O3S- MolecularWeight: 376.425163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)[O-])C(=NNC(=S)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)[O-])/C(=N\NC(=S)NCC2=CC=C(C=C2)F)/C

InChI

InChI=1S/C18H20FN3O3S/c1-11(16-9-15(25-12(16)2)7-8-17(23)24)21-22-18(26)20-10-13-3-5-14(19)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,23,24)(H2,20,22,26)/p-1/b21-11-