ethyl 5-(phenylmethyl)-2-[[(3,4,5-triethoxyphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[(3,4,5-triethoxyphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(3,4,5-triethoxybenzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H33N3O6S2/c1-5-34-22-15-19(16-23(35-6-2)24(22)36-7-3)25(32)30-31-28(38)29-26-21(27(33)37-8-4)17-20(39-26)14-18-12-10-9-11-13-18/h9-13,15-17H,5-8,14H2,1-4H3,(H,30,32)(H2,29,31,38)