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

Systemtic Name: (phenylmethyl) N'-[(3,4-dimethoxyphenyl)methyl]-N-(2-ethoxyphenyl)carbamimidothioate Openeye Name: 2-benzyl-3-[(3,4-dimethoxyphenyl)methyl]-1-(2-ethoxyphenyl)isothiourea CAS Name: N'-[(3,4-dimethoxyphenyl)methyl]-N-(2-ethoxyphenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(3,4-dimethoxyphenyl)methyl]-N-(2-ethoxyphenyl)carbamimidothioate Traditional Name: 2-benzyl-1-o-phenetyl-3-veratryl-isothiourea Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=NCC2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=NCC2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-4-30-22-13-9-8-12-21(22)27-25(31-18-19-10-6-5-7-11-19)26-17-20-14-15-23(28-2)24(16-20)29-3/h5-16H,4,17-18H2,1-3H3,(H,26,27)