methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(diethylamino)phenyl]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N4O3S2 MolecularWeight: 448.60202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S2/c1-7-25(8-2)15-11-9-14(10-12-15)22-21(29)23-18-16(20(27)28-6)13(3)17(30-18)19(26)24(4)5/h9-12H,7-8H2,1-6H3,(H2,22,23,29)