methyl N-(4-fluorophenyl)-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-(4-fluorophenyl)-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-(4-fluorophenyl)-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-(4-fluorophenyl)-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-fluorophenyl)-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-(4-fluorophenyl)-2-methyl-3-(1-phenylethyl)isothiourea Formula: C16H17FN2S MolecularWeight: 288.382983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)F)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N=C(NC2=CC=C(C=C2)F)SC

InChI

InChI=1S/C16H17FN2S/c1-12(13-6-4-3-5-7-13)18-16(20-2)19-15-10-8-14(17)9-11-15/h3-12H,1-2H3,(H,18,19)