N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methyl-benzamide

Systemtic Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[4-[4-(butanoylamino)phenyl]thiazol-2-yl]-3-methyl-benzamide CAS Name: 3-methyl-N-[4-[4-(1-oxobutylamino)phenyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-methylbenzamide Traditional Name: N-[4-(4-butyramidophenyl)thiazol-2-yl]-3-methyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-3-5-19(25)22-17-10-8-15(9-11-17)18-13-27-21(23-18)24-20(26)16-7-4-6-14(2)12-16/h4,6-13H,3,5H2,1-2H3,(H,22,25)(H,23,24,26)