ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]acetate CAS Name: 2-[[[(2,4-dimethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]acetate Traditional Name: 2-[[(2,4-dimethoxybenzyl)-(3-imidazol-1-ylpropyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-4-28-19(25)13-22-20(29)24(10-5-9-23-11-8-21-15-23)14-16-6-7-17(26-2)12-18(16)27-3/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,22,29)