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

Systemtic Name: 4-(3-methylbutanoylamino)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide Openeye Name: 4-(3-methylbutanoylamino)-N-[4-(thiazol-2-ylcarbamoyl)phenyl]benzamide CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-N-[4-[oxo-(2-thiazolylamino)methyl]phenyl]benzamide IUPAC Name: 4-(3-methylbutanoylamino)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide Traditional Name: 4-(isovalerylamino)-N-[4-(thiazol-2-ylcarbamoyl)phenyl]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=C(C=C2)C(=O)NC3=NC=CS3

Isomeric SMILES

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

InChI

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