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

Systemtic Name: 5-bromanyl-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[2-(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=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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