N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-[4-[4-(butanoylamino)phenyl]thiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[4-[4-(1-oxobutylamino)phenyl]-2-thiazolyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[4-(4-butyramidophenyl)thiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C24H23N3O4S MolecularWeight: 449.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C24H23N3O4S/c1-3-6-20(28)25-17-11-9-15(10-12-17)19-14-32-23(26-19)27-22(30)24(2)13-16-7-4-5-8-18(16)21(29)31-24/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,25,28)(H,26,27,30)