[2-oxidanylidene-2-(phenethylamino)ethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate Openeye Name: 2-[N-cyano-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl-N-phenethyl-acetamide CAS Name: N-cyano-N'-(3-fluorophenyl)carbamimidothioic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate Traditional Name: 2-[[N-cyano-N'-(3-fluorophenyl)amidino]thio]-N-phenethyl-acetamide Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC(=NC2=CC(=CC=C2)F)NC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC(=NC2=CC(=CC=C2)F)NC#N

InChI

InChI=1S/C18H17FN4OS/c19-15-7-4-8-16(11-15)23-18(22-13-20)25-12-17(24)21-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H,21,24)(H,22,23)