3-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-butoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(2-butoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(2-butoxyanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(2-butoxyphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(2-butoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

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