N-butyl-5-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-butyl-5-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-butyl-5-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-4-carboxamide CAS Name: N-butyl-5-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-butyl-5-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-4-carboxamide Traditional Name: N-butyl-5-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-4-carboxamide Formula: C20H30N4O3S MolecularWeight: 406.5422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SN=N1)C2=CC(=CC=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCCCNC(=O)C1=C(SN=N1)C2=CC(=CC=C2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C20H30N4O3S/c1-5-6-10-21-19(26)17-18(28-24-23-17)14-8-7-9-16(11-14)27-13-15(25)12-22-20(2,3)4/h7-9,11,15,22,25H,5-6,10,12-13H2,1-4H3,(H,21,26)