5-[[4-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-1,3-oxazol-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-1,3-oxazol-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-isobutyl-5-[[4-(p-tolylsulfonyl)-5-pyrrolidin-1-yl-oxazol-2-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-5-(1-pyrrolidinyl)-2-oxazolyl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-1,3-oxazol-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-isobutyl-5-[(5-pyrrolidino-4-tosyl-oxazol-2-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C22H25N3O4S3 MolecularWeight: 491.6466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCCC4

InChI

InChI=1S/C22H25N3O4S3/c1-14(2)13-25-20(26)17(31-22(25)30)12-18-23-19(21(29-18)24-10-4-5-11-24)32(27,28)16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3