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

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl]isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-(3,5-dimethylphenyl)isothiourea Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2S/c1-12-5-6-15(4)16(8-12)11-21-18(19)20-17-9-13(2)7-14(3)10-17/h5-10H,11H2,1-4H3,(H2,19,20)