3-bromanyl-4-phenethyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-(mesitylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)C

InChI

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