ethyl 5-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(isopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isopropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C

InChI

InChI=1S/C17H20N2O2S2/c1-4-21-16(20)13-10-14(12-8-6-5-7-9-12)23-15(13)19-17(22)18-11(2)3/h5-11H,4H2,1-3H3,(H2,18,19,22)