prop-2-enyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate

Systemtic Name: prop-2-enyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Openeye Name: 2-allyl-3-[(E)-(4-fluorophenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-allyl-3-[(E)-(4-fluorobenzylidene)amino]isothiourea Formula: C11H12FN3S MolecularWeight: 237.296483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCS/C(=N\N=C\C1=CC=C(C=C1)F)/N

InChI

InChI=1S/C11H12FN3S/c1-2-7-16-11(13)15-14-8-9-3-5-10(12)6-4-9/h2-6,8H,1,7H2,(H2,13,15)/b14-8+