2-(3-phenylsulfanylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-(3-phenylsulfanylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3-phenylsulfanylpropanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3-phenylsulfanylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[3-(phenylthio)propanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21N3O2S/c26-21(12-14-28-18-8-2-1-3-9-18)25-20-11-5-4-10-19(20)22(27)24-16-17-7-6-13-23-15-17/h1-11,13,15H,12,14,16H2,(H,24,27)(H,25,26)