2-chloranyl-N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-[4-(3-methylbutanoylamino)phenyl]thiazol-2-yl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-thiazolyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-[4-(isovalerylamino)phenyl]thiazol-2-yl]-5-mesyl-benzamide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S2/c1-13(2)10-20(27)24-15-6-4-14(5-7-15)19-12-31-22(25-19)26-21(28)17-11-16(32(3,29)30)8-9-18(17)23/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H,25,26,28)