(4-propan-2-ylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-isopropylphenyl)methyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 3-homoveratryl-2-(4-isopropylbenzyl)isothiourea Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-15(2)18-8-5-17(6-9-18)14-26-21(22)23-12-11-16-7-10-19(24-3)20(13-16)25-4/h5-10,13,15H,11-12,14H2,1-4H3,(H2,22,23)