ethyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OCC

InChI

InChI=1S/C26H30N2O4S2/c1-6-16-10-9-11-17(7-2)23(16)27-26(33)28-24-22(25(29)32-8-3)19(15-34-24)18-12-13-20(30-4)21(14-18)31-5/h9-15H,6-8H2,1-5H3,(H2,27,28,33)