ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2,4-dimethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2,4-dimethoxybenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O5S/c1-4-34-25(30)20-6-9-22(10-7-20)27-26(35)29(13-5-12-28-14-16-33-17-15-28)19-21-8-11-23(31-2)18-24(21)32-3/h6-11,18H,4-5,12-17,19H2,1-3H3,(H,27,35)