4-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-(2-methoxyethoxy)-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

InChI

InChI=1S/C22H27N3O4S/c1-15(2)14-20(26)23-17-6-8-18(9-7-17)24-22(30)25-21(27)16-4-10-19(11-5-16)29-13-12-28-3/h4-11,15H,12-14H2,1-3H3,(H,23,26)(H2,24,25,27,30)