ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O4S2/c1-2-26-21(25)17-12-16(10-14-6-4-3-5-7-14)30-20(17)24-22(29)23-15-8-9-18-19(11-15)28-13-27-18/h3-9,11-12H,2,10,13H2,1H3,(H2,23,24,29)