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

Systemtic Name: (4-cyanophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-homoveratryl-isothiourea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C19H21N3O2S/c1-23-17-8-7-14(11-18(17)24-2)9-10-22-19(21)25-13-16-5-3-15(12-20)4-6-16/h3-8,11H,9-10,13H2,1-2H3,(H2,21,22)