2,5-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-propan-2-yl-pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-propan-2-yl-pyrrole-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-(phenylmethylthio)ethyl]-1-propan-2-yl-3-pyrrolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C19H26N2OS MolecularWeight: 330.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2OS/c1-14(2)21-15(3)12-18(16(21)4)19(22)20-10-11-23-13-17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,20,22)