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

Systemtic Name: 5-bromanyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-12(2)19(26)23-15-6-8-16(9-7-15)24-21(29)25-20(27)17-11-14(22)5-10-18(17)28-13(3)4/h5-13H,1-4H3,(H,23,26)(H2,24,25,27,29)