5-bromanyl-2-(3-methylbutoxy)-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[2-(methylcarbamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[2-(methylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)10-11-28-18-9-8-14(22)12-16(18)20(27)25-21(29)24-17-7-5-4-6-15(17)19(26)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H2,24,25,27,29)