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

Systemtic Name: 3-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 3-[[4-(3-methylbutanoylamino)benzoyl]amino]-N-thiazol-2-yl-benzamide CAS Name: 3-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]-N-(2-thiazolyl)benzamide IUPAC Name: 3-[[4-(3-methylbutanoylamino)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 3-[[4-(isovalerylamino)benzoyl]amino]-N-thiazol-2-yl-benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3

InChI

InChI=1S/C22H22N4O3S/c1-14(2)12-19(27)24-17-8-6-15(7-9-17)20(28)25-18-5-3-4-16(13-18)21(29)26-22-23-10-11-30-22/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,25,28)(H,23,26,29)