2-phenoxyethyl N'-(3,5-dimethylphenyl)carbamimidothioate

Systemtic Name: 2-phenoxyethyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,5-dimethylphenyl)-2-(2-phenoxyethyl)isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,5-dimethylphenyl)-2-(2-phenoxyethyl)isothiourea Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(N)SCCOC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(N)SCCOC2=CC=CC=C2)C

InChI

InChI=1S/C17H20N2OS/c1-13-10-14(2)12-15(11-13)19-17(18)21-9-8-20-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H2,18,19)