methyl 5-(diethylcarbamoyl)-2-[(4-ethylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-ethylphenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C21H27N3O3S2/c1-6-14-9-11-15(12-10-14)22-21(28)23-18-16(20(26)27-5)13(4)17(29-18)19(25)24(7-2)8-3/h9-12H,6-8H2,1-5H3,(H2,22,23,28)