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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-20(2)16-18-36-26-14-13-22(19-24(26)30)27(34)32-29(37)33(3)25-12-8-7-11-23(25)28(35)31-17-15-21-9-5-4-6-10-21/h4-14,19-20H,15-18H2,1-3H3,(H,31,35)(H,32,34,37)