3-bromanyl-4-(3-methylbutoxy)-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-19(2)15-17-35-25-13-12-21(18-23(25)29)26(33)32-28(36)31-24-11-7-6-10-22(24)27(34)30-16-14-20-8-4-3-5-9-20/h3-13,18-19H,14-17H2,1-2H3,(H,30,34)(H2,31,32,33,36)