3-bromanyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[3-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[3-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O3S/c1-3-18(2)29-25(32)20-10-7-11-22(16-20)30-27(35)31-26(33)21-12-13-24(23(28)17-21)34-15-14-19-8-5-4-6-9-19/h4-13,16-18H,3,14-15H2,1-2H3,(H,29,32)(H2,30,31,33,35)