(4-tert-butylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-homoveratryl-isothiourea Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-22(2,3)18-9-6-17(7-10-18)15-27-21(23)24-13-12-16-8-11-19(25-4)20(14-16)26-5/h6-11,14H,12-13,15H2,1-5H3,(H2,23,24)