ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-morpholin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-morpholin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-morpholinoethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-morpholin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(2-morpholinoethylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NCCN4CCOCC4

InChI

InChI=1S/C23H29N3O5S2/c1-3-29-22(27)20-17(12-16-4-5-18-19(13-16)31-14-30-18)15(2)33-21(20)25-23(32)24-6-7-26-8-10-28-11-9-26/h4-5,13H,3,6-12,14H2,1-2H3,(H2,24,25,32)