naphthalen-1-ylmethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: naphthalen-1-ylmethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-naphthylmethyl)isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 3-homoveratryl-2-(1-naphthylmethyl)isothiourea Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C22H24N2O2S/c1-25-20-11-10-16(14-21(20)26-2)12-13-24-22(23)27-15-18-8-5-7-17-6-3-4-9-19(17)18/h3-11,14H,12-13,15H2,1-2H3,(H2,23,24)