(4-isothiocyanatophenyl)methyl N'-methyl-N-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (4-isothiocyanatophenyl)methyl N'-methyl-N-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(4-isothiocyanatophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-methyl-N-[3-(trifluoromethyl)phenyl]carbamimidothioic acid (4-isothiocyanatophenyl)methyl ester IUPAC Name: (4-isothiocyanatophenyl)methyl N'-methyl-N-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(4-isothiocyanatobenzyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]isothiourea Formula: C17H14F3N3S2 MolecularWeight: 381.43837

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C17H14F3N3S2/c1-21-16(23-15-4-2-3-13(9-15)17(18,19)20)25-10-12-5-7-14(8-6-12)22-11-24/h2-9H,10H2,1H3,(H,21,23)