methyl 5-ethyl-2-[(4-iodophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-iodophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-iodophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-iodophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-iodophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H15IN2O2S2 MolecularWeight: 446.32627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)I)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)I)C(=O)OC

InChI

InChI=1S/C15H15IN2O2S2/c1-3-11-8-12(14(19)20-2)13(22-11)18-15(21)17-10-6-4-9(16)5-7-10/h4-8H,3H2,1-2H3,(H2,17,18,21)