N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-[(2S)-butan-2-yl]oxy-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-[(2S)-butan-2-yl]oxy-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-3-[(1S)-1-methylpropoxy]benzamide CAS Name: 3-[(2S)-butan-2-yl]oxy-N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-[(2S)-butan-2-yl]oxy-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-3-[(1S)-1-methylpropoxy]benzamide Formula: C18H18Br2N2O3S MolecularWeight: 502.22012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

Isomeric SMILES

CC[C@H](C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C18H18Br2N2O3S/c1-3-10(2)25-13-6-4-5-11(7-13)17(24)22-18(26)21-12-8-14(19)16(23)15(20)9-12/h4-10,23H,3H2,1-2H3,(H2,21,22,24,26)/t10-/m0/s1