N-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-thiazole-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-phenyl-4-thiazolecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-phenyl-thiazole-4-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-14(2)12-19(25)22-16-8-10-17(11-9-16)23-20(26)18-13-27-21(24-18)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,22,25)(H,23,26)