ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-4-piperonyl-2-(p-phenetylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C25H26N2O5S2/c1-4-29-18-9-7-17(8-10-18)26-25(33)27-23-22(24(28)30-5-2)19(15(3)34-23)12-16-6-11-20-21(13-16)32-14-31-20/h6-11,13H,4-5,12,14H2,1-3H3,(H2,26,27,33)