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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(m-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(m-tolylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S2/c1-4-28-23(27)21-18(11-16-8-9-19-20(12-16)30-13-29-19)15(3)32-22(21)26-24(31)25-17-7-5-6-14(2)10-17/h5-10,12H,4,11,13H2,1-3H3,(H2,25,26,31)