(4-fluorophenyl)methyl (NE)-N'-azanyl-N-[(4-methoxyphenyl)methylidene]carbamimidothioate

Systemtic Name: (4-fluorophenyl)methyl (NE)-N'-azanyl-N-[(4-methoxyphenyl)methylidene]carbamimidothioate Openeye Name: (1E)-3-amino-2-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methylene]isothiourea CAS Name: (NE)-N'-amino-N-[(4-methoxyphenyl)methylidene]carbamimidothioic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl (NE)-N'-amino-N-[(4-methoxyphenyl)methylidene]carbamimidothioate Traditional Name: (1E)-3-amino-2-(4-fluorobenzyl)-1-p-anisylidene-isothiourea Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NC(=NN)SCC2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/C(=N/N)/SCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN3OS/c1-21-15-8-4-12(5-9-15)10-19-16(20-18)22-11-13-2-6-14(17)7-3-13/h2-10H,11,18H2,1H3/b19-10+,20-16-