6-[3-(2-ethylhexyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(2-ethylhexyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(2-ethylhexyl)-2-(4-morpholinosulfonylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(2-ethylhexyl)-2-[4-(4-morpholinylsulfonyl)phenyl]imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(2-ethylhexyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(2-ethylhexyl)-2-(4-morpholinosulfonylphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H36N4O5S2 MolecularWeight: 584.74994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CCCCC(CC)CN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C29H36N4O5S2/c1-3-5-6-21(4-2)18-33-26(22-7-12-27-25(17-22)31-28(34)19-38-27)20-39-29(33)30-23-8-10-24(11-9-23)40(35,36)32-13-15-37-16-14-32/h7-12,17,20-21H,3-6,13-16,18-19H2,1-2H3,(H,31,34)