5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(butyramidothiocarbamoyl)-2-phenethyloxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrN3O3S/c1-2-6-18(25)23-24-20(28)22-19(26)16-13-15(21)9-10-17(16)27-12-11-14-7-4-3-5-8-14/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,23,25)(H2,22,24,26,28)