diethyl 3-methyl-5-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-isopropylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(o-cumenylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H26N2O4S2/c1-6-26-19(24)16-13(5)17(20(25)27-7-2)29-18(16)23-21(28)22-15-11-9-8-10-14(15)12(3)4/h8-12H,6-7H2,1-5H3,(H2,22,23,28)