butyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate

Systemtic Name: butyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Openeye Name: 2-butyl-3-[(E)-(4-fluorophenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-butyl-3-[(E)-(4-fluorobenzylidene)amino]isothiourea Formula: C12H16FN3S MolecularWeight: 253.338943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NN=CC1=CC=C(C=C1)F)N

Isomeric SMILES

CCCCS/C(=N/N=C/C1=CC=C(C=C1)F)/N

InChI

InChI=1S/C12H16FN3S/c1-2-3-8-17-12(14)16-15-9-10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,14,16)/b15-9+