(2,5-dimethylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-(4-methoxyphenyl)isothiourea Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NC2=CC=C(C=C2)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C17H20N2OS/c1-12-4-5-13(2)14(10-12)11-21-17(18)19-15-6-8-16(20-3)9-7-15/h4-10H,11H2,1-3H3,(H2,18,19)