2-[(4-chloranylphenoxy)methyl]-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-chlorophenoxy)methyl]-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thiazole-4-carboxamide CAS Name: 2-[(4-chlorophenoxy)methyl]-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-chlorophenoxy)methyl]-N-[5-(isobutyrylamino)-2-methyl-phenyl]thiazole-4-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-13(2)21(27)24-16-7-4-14(3)18(10-16)26-22(28)19-12-30-20(25-19)11-29-17-8-5-15(23)6-9-17/h4-10,12-13H,11H2,1-3H3,(H,24,27)(H,26,28)