3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H25BrClN3O3S MolecularWeight: 574.917

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H25BrClN3O3S/c1-2-6-24(32)29-19-10-11-21(28)22(16-19)30-26(35)31-25(33)18-9-12-23(20(27)15-18)34-14-13-17-7-4-3-5-8-17/h3-5,7-12,15-16H,2,6,13-14H2,1H3,(H,29,32)(H2,30,31,33,35)