2-[5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate

Systemtic Name: 2-[5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate Openeye Name: 2-[5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate CAS Name: 2-[5-[(1Z)-1-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetate IUPAC Name: 2-[5-[(Z)-N-[(4-fluorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetate Traditional Name: 2-[5-[(Z)-N-[(4-fluorophenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate Formula: C18H17FN3O3S- MolecularWeight: 374.409283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3S/c1-11(12-3-8-16(25-2)13(9-12)10-17(23)24)21-22-18(26)20-15-6-4-14(19)5-7-15/h3-9H,10H2,1-2H3,(H,23,24)(H2,20,22,26)/p-1/b21-11-