(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C22H30N2S MolecularWeight: 354.552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC(C)C2=CC=CC=C2)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=N[C@H](C)C2=CC=CC=C2)N)C)C(C)(C)C

InChI

InChI=1S/C22H30N2S/c1-15-12-19(22(4,5)6)13-16(2)20(15)14-25-21(23)24-17(3)18-10-8-7-9-11-18/h7-13,17H,14H2,1-6H3,(H2,23,24)/t17-/m1/s1