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

Systemtic Name: (phenylmethyl) N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-benzyl-3-homoveratryl-isothiourea Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-21-16-9-8-14(12-17(16)22-2)10-11-20-18(19)23-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20)