3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)C

InChI

InChI=1S/C25H25BrN2O2S/c1-3-19-11-7-8-17(2)23(19)27-25(31)28-24(29)20-12-13-22(21(26)16-20)30-15-14-18-9-5-4-6-10-18/h4-13,16H,3,14-15H2,1-2H3,(H2,27,28,29,31)