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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoylamino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21FN2O4S2 MolecularWeight: 472.552243

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O4S2/c1-3-28-22(27)20-17(10-14-4-9-18-19(11-14)30-12-29-18)13(2)32-21(20)26-23(31)25-16-7-5-15(24)6-8-16/h4-9,11H,3,10,12H2,1-2H3,(H2,25,26,31)