N-tert-butyl-3-[[2-[1-cyano-2-oxidanylidene-2-(2-oxidanylpropylamino)ethyl]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-5-yl]methylamino]benzamide

Systemtic Name: N-tert-butyl-3-[[2-[1-cyano-2-oxidanylidene-2-(2-oxidanylpropylamino)ethyl]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-5-yl]methylamino]benzamide Openeye Name: N-tert-butyl-3-[[2-[1-cyano-2-(2-hydroxypropylamino)-2-oxo-ethyl]-3-ethyl-4-oxo-thiazolidin-5-yl]methylamino]benzamide CAS Name: N-tert-butyl-3-[[2-[1-cyano-2-(2-hydroxypropylamino)-2-oxoethyl]-3-ethyl-4-oxo-5-thiazolidinyl]methylamino]benzamide IUPAC Name: N-tert-butyl-3-[[2-[1-cyano-2-(2-hydroxypropylamino)-2-oxoethyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]methylamino]benzamide Traditional Name: N-tert-butyl-3-[[2-[1-cyano-2-(2-hydroxypropylamino)-2-keto-ethyl]-3-ethyl-4-keto-thiazolidin-5-yl]methylamino]benzamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC(C1=O)CNC2=CC=CC(=C2)C(=O)NC(C)(C)C)C(C#N)C(=O)NCC(C)O

Isomeric SMILES

CCN1C(SC(C1=O)CNC2=CC=CC(=C2)C(=O)NC(C)(C)C)C(C#N)C(=O)NCC(C)O

InChI

InChI=1S/C23H33N5O4S/c1-6-28-21(32)18(33-22(28)17(11-24)20(31)26-12-14(2)29)13-25-16-9-7-8-15(10-16)19(30)27-23(3,4)5/h7-10,14,17-18,22,25,29H,6,12-13H2,1-5H3,(H,26,31)(H,27,30)