dimethyl 5-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2,6-diisopropylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2,6-diisopropylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC

InChI

InChI=1S/C22H28N2O4S2/c1-11(2)14-9-8-10-15(12(3)4)17(14)23-22(29)24-19-16(20(25)27-6)13(5)18(30-19)21(26)28-7/h8-12H,1-7H3,(H2,23,24,29)