5-bromanyl-2-(2-methoxyethoxy)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)19(26)23-15-5-7-16(8-6-15)24-21(30)25-20(27)17-12-14(22)4-9-18(17)29-11-10-28-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H2,24,25,27,30)