5-bromanyl-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[(3-sec-butoxyphenyl)thiocarbamoyl]benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3S/c1-3-18(2)32-22-11-7-10-21(17-22)28-26(33)29-25(30)23-16-20(27)12-13-24(23)31-15-14-19-8-5-4-6-9-19/h4-13,16-18H,3,14-15H2,1-2H3,(H2,28,29,30,33)