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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-benzyl-N-[4-(3-methylbutanoylamino)phenyl]thiazole-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-benzyl-N-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-benzyl-N-[4-(isovalerylamino)phenyl]thiazole-4-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-15(2)12-20(26)23-17-8-10-18(11-9-17)24-22(27)19-14-28-21(25-19)13-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,26)(H,24,27)