N-(2-pyrrol-1-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-pyrrol-1-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(2-pyrrol-1-ylethyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-[2-(1-pyrrolyl)ethyl]-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(2-pyrrol-1-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(2-pyrrol-1-ylethyl)-4-[(2-quinolylthio)methyl]benzamide Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)NCCN4C=CC=C4

InChI

InChI=1S/C23H21N3OS/c27-23(24-13-16-26-14-3-4-15-26)20-9-7-18(8-10-20)17-28-22-12-11-19-5-1-2-6-21(19)25-22/h1-12,14-15H,13,16-17H2,(H,24,27)