2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-piperidyl]-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-4-piperidinyl]-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-piperidyl]-N-[4-(methylthio)benzyl]acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)N2CCC(CC2)CC(=O)NCC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N2CCC(CC2)CC(=O)NCC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C22H29N3O2S/c1-15-12-16(2)24-21(15)22(27)25-10-8-17(9-11-25)13-20(26)23-14-18-4-6-19(28-3)7-5-18/h4-7,12,17,24H,8-11,13-14H2,1-3H3,(H,23,26)