4-(4-methylphenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxamide Openeye Name: 4-(p-tolyl)-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxamide Traditional Name: 4-(p-tolyl)-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H21N3O2S2/c1-15-6-8-16(9-7-15)18-14-31-24(22(18)23(25)29)27-20(28)12-13-30-21-11-10-17-4-2-3-5-19(17)26-21/h2-11,14H,12-13H2,1H3,(H2,25,29)(H,27,28)