methyl 5-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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