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

Systemtic Name: methyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-acetamidophenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c1-4-13-9-14(16(22)23-3)15(25-13)20-17(24)19-12-7-5-11(6-8-12)18-10(2)21/h5-9H,4H2,1-3H3,(H,18,21)(H2,19,20,24)