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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(carbamothioylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(carbamothioylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(carbamothioylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(carbamothioylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(thioureidothiocarbamoyl)benzamide Formula: C13H17BrN4OS2 MolecularWeight: 389.33428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=S)N)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=S)N)Br

InChI

InChI=1S/C13H17BrN4OS2/c1-13(2,3)8-5-4-7(6-9(8)14)10(19)16-12(21)18-17-11(15)20/h4-6H,1-3H3,(H3,15,17,20)(H2,16,18,19,21)