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

Systemtic Name: (4-nitrophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 3-homoveratryl-2-(4-nitrobenzyl)isothiourea Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O4S/c1-24-16-8-5-13(11-17(16)25-2)9-10-20-18(19)26-12-14-3-6-15(7-4-14)21(22)23/h3-8,11H,9-10,12H2,1-2H3,(H2,19,20)