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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(phenylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-3-27-22(26)20-17(11-15-9-10-18-19(12-15)29-13-28-18)14(2)31-21(20)25-23(30)24-16-7-5-4-6-8-16/h4-10,12H,3,11,13H2,1-2H3,(H2,24,25,30)