N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]butanamide CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]butyramide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=S)C=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=S)C=C2

InChI

InChI=1S/C21H30N4O3S/c1-5-6-19(27)23-14-7-9-18(28-13-15(26)12-22-21(2,3)4)16(11-14)17-8-10-20(29)25-24-17/h7-11,15,22,26H,5-6,12-13H2,1-4H3,(H,23,27)(H,25,29)