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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NCCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NCCC2=CC=CC=C2)N

InChI

InChI=1S/C18H22N2S/c1-14-8-9-15(2)17(12-14)13-21-18(19)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20)