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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,3-dimethylphenyl)thiocarbamoylamino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S2/c1-5-29-24(28)22-18(11-17-9-10-20-21(12-17)31-13-30-20)16(4)33-23(22)27-25(32)26-19-8-6-7-14(2)15(19)3/h6-10,12H,5,11,13H2,1-4H3,(H2,26,27,32)