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

Systemtic Name: methyl 2-[(2-ethanoylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-acetylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-acetylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-acetylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2-acetylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)C)C(=O)OC

InChI

InChI=1S/C17H18N2O3S2/c1-4-11-9-13(16(21)22-3)15(24-11)19-17(23)18-14-8-6-5-7-12(14)10(2)20/h5-9H,4H2,1-3H3,(H2,18,19,23)