N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]thiophene-3-carboxamide

Systemtic Name: N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]thiophene-3-carboxamide Openeye Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]thiophene-3-carboxamide CAS Name: N-[3-cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-3-thiophenecarboxamide IUPAC Name: N-[4-(benzylamino)-3-cyanoquinolin-2-yl]thiophene-3-carboxamide Traditional Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]thiophene-3-carboxamide Formula: C22H16N4OS MolecularWeight: 384.45364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CSC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CSC=C4)C#N

InChI

InChI=1S/C22H16N4OS/c23-12-18-20(24-13-15-6-2-1-3-7-15)17-8-4-5-9-19(17)25-21(18)26-22(27)16-10-11-28-14-16/h1-11,14H,13H2,(H2,24,25,26,27)