methyl N-[3-methoxy-5-(trifluoromethyl)phenyl]-N'-(1-phenylethyl)carbamimidothioate

Systemtic Name: methyl N-[3-methoxy-5-(trifluoromethyl)phenyl]-N'-(1-phenylethyl)carbamimidothioate Openeye Name: 1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methyl-3-(1-phenylethyl)isothiourea CAS Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-N'-(1-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[3-methoxy-5-(trifluoromethyl)phenyl]-N'-(1-phenylethyl)carbamimidothioate Traditional Name: 1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methyl-3-(1-phenylethyl)isothiourea Formula: C18H19F3N2OS MolecularWeight: 368.41647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2OS/c1-12(13-7-5-4-6-8-13)22-17(25-3)23-15-9-14(18(19,20)21)10-16(11-15)24-2/h4-12H,1-3H3,(H,22,23)