5-[[4-(4-octadecylpiperazin-1-yl)carbonylphenyl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[4-(4-octadecylpiperazin-1-yl)carbonylphenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-(4-octadecylpiperazine-1-carbonyl)phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[(4-octadecyl-1-piperazinyl)-oxomethyl]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-(4-octadecylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-(4-stearylpiperazine-1-carbonyl)benzyl]thiazolidine-2,4-quinone Formula: C33H53N3O3S MolecularWeight: 571.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3C(=O)NC(=O)S3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CC3C(=O)NC(=O)S3

InChI

InChI=1S/C33H53N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-23-25-36(26-24-35)32(38)29-20-18-28(19-21-29)27-30-31(37)34-33(39)40-30/h18-21,30H,2-17,22-27H2,1H3,(H,34,37,39)