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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[4-(3-methylbutanoylamino)phenyl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[4-(isovalerylamino)phenyl]thiazole-4-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-14(2)11-21(27)24-16-6-8-17(9-7-16)25-22(28)18-13-31-23(26-18)15-5-10-19(29-3)20(12-15)30-4/h5-10,12-14H,11H2,1-4H3,(H,24,27)(H,25,28)