methyl 4-[[N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(3,4-diethoxyphenyl)ethylimino-(3,5-dimethylanilino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(3,5-dimethylphenyl)amidino]thio]methyl]benzoic acid methyl ester Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN=C(NC2=CC(=CC(=C2)C)C)SCC3=CC=C(C=C3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN=C(NC2=CC(=CC(=C2)C)C)SCC3=CC=C(C=C3)C(=O)OC)OCC

InChI

InChI=1S/C30H36N2O4S/c1-6-35-27-13-10-23(19-28(27)36-7-2)14-15-31-30(32-26-17-21(3)16-22(4)18-26)37-20-24-8-11-25(12-9-24)29(33)34-5/h8-13,16-19H,6-7,14-15,20H2,1-5H3,(H,31,32)