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

Systemtic Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2,4-dimethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2,4-dimethoxybenzyl)-(3-imidazol-1-ylpropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C25H30N4O4S/c1-4-33-24(30)19-6-9-21(10-7-19)27-25(34)29(14-5-13-28-15-12-26-18-28)17-20-8-11-22(31-2)16-23(20)32-3/h6-12,15-16,18H,4-5,13-14,17H2,1-3H3,(H,27,34)