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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2-isopropylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(o-cumenylthiocarbamoylamino)-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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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=C4C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=CC=C4C(C)C

InChI

InChI=1S/C26H28N2O4S2/c1-5-30-25(29)23-19(12-17-10-11-21-22(13-17)32-14-31-21)16(4)34-24(23)28-26(33)27-20-9-7-6-8-18(20)15(2)3/h6-11,13,15H,5,12,14H2,1-4H3,(H2,27,28,33)