3-bromanyl-4-tert-butyl-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-20(2,3)15-10-9-13(11-16(15)21)18(26)22-19(28)24-23-17(25)12-27-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,23,25)(H2,22,24,26,28)