diethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(diethylamino)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H29N3O4S2/c1-6-25(7-2)16-12-10-15(11-13-16)23-22(30)24-19-17(20(26)28-8-3)14(5)18(31-19)21(27)29-9-4/h10-13H,6-9H2,1-5H3,(H2,23,24,30)