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

Systemtic Name: methyl 5-phenyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O2S2/c1-3-18(15-10-6-4-7-11-15)23-22(27)24-20-17(21(25)26-2)14-19(28-20)16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3,(H2,23,24,27)