N-(2-cyanoethyl)-N-(2-pyridin-2-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-pyridin-2-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(2-cyanoethyl)-N-[2-(2-pyridyl)ethyl]-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(2-cyanoethyl)-N-[2-(2-pyridinyl)ethyl]-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(2-cyanoethyl)-N-(2-pyridin-2-ylethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(2-cyanoethyl)-N-[2-(2-pyridyl)ethyl]-4-[(2-quinolylthio)methyl]benzamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)N(CCC#N)CCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)N(CCC#N)CCC4=CC=CC=N4

InChI

InChI=1S/C27H24N4OS/c28-16-5-18-31(19-15-24-7-3-4-17-29-24)27(32)23-11-9-21(10-12-23)20-33-26-14-13-22-6-1-2-8-25(22)30-26/h1-4,6-14,17H,5,15,18-20H2