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

Systemtic Name: dimethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(diethylamino)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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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)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-6-23(7-2)14-10-8-13(9-11-14)21-20(28)22-17-15(18(24)26-4)12(3)16(29-17)19(25)27-5/h8-11H,6-7H2,1-5H3,(H2,21,22,28)