methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O7S2 MolecularWeight: 494.54128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C(=O)N(C)C

InChI

InChI=1S/C20H22N4O7S2/c1-10-15(19(27)28-4)17(33-16(10)18(26)24(2)3)21-20(32)23-22-14(25)8-29-11-5-6-12-13(7-11)31-9-30-12/h5-7H,8-9H2,1-4H3,(H,22,25)(H2,21,23,32)