(2,5-dimethylphenyl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-phenyl-isothiourea Formula: C16H18N2S MolecularWeight: 270.39252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2S/c1-12-8-9-13(2)14(10-12)11-19-16(17)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,17,18)