(phenylmethyl) N,N-dimethyl-N'-(C-methylsulfanyl-N-phenyl-carbonimidoyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N-dimethyl-N'-(C-methylsulfanyl-N-phenyl-carbonimidoyl)carbamimidothioate Openeye Name: 2-benzyl-1,1-dimethyl-3-(C-methylsulfanyl-N-phenyl-carbonimidoyl)isothiourea CAS Name: N,N-dimethyl-N'-[(methylthio)-phenyliminomethyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate Traditional Name: 2-benzyl-1,1-dimethyl-3-[C-(methylthio)-N-phenyl-carbonimidoyl]isothiourea Formula: C18H21N3S2 MolecularWeight: 343.50944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NC(=NC1=CC=CC=C1)SC)SCC2=CC=CC=C2

Isomeric SMILES

CN(C)/C(=N/C(=NC1=CC=CC=C1)SC)/SCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3S2/c1-21(2)18(23-14-15-10-6-4-7-11-15)20-17(22-3)19-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/b19-17?,20-18-