(2,3,4,5,6-pentamethylphenyl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-(2,3,4,5,6-pentamethylbenzyl)-3-phenyl-isothiourea Formula: C19H24N2S MolecularWeight: 312.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=NC2=CC=CC=C2)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=NC2=CC=CC=C2)N)C)C

InChI

InChI=1S/C19H24N2S/c1-12-13(2)15(4)18(16(5)14(12)3)11-22-19(20)21-17-9-7-6-8-10-17/h6-10H,11H2,1-5H3,(H2,20,21)