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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chlorophenyl)thiocarbamoylamino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21ClN2O4S2 MolecularWeight: 489.00684

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O4S2/c1-3-28-22(27)20-17(9-14-7-8-18-19(10-14)30-12-29-18)13(2)32-21(20)26-23(31)25-16-6-4-5-15(24)11-16/h4-8,10-11H,3,9,12H2,1-2H3,(H2,25,26,31)