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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(phenylcarbamoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(phenylcarbamoylamino)carbamothioyl]benzamide CAS Name: N-[[[anilino(oxo)methyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(phenylcarbamoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(phenylcarbamoylamino)thiocarbamoyl]benzamide Formula: C19H21BrN4O2S MolecularWeight: 449.36464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)NC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)NC2=CC=CC=C2)Br

InChI

InChI=1S/C19H21BrN4O2S/c1-19(2,3)14-10-9-12(11-15(14)20)16(25)22-18(27)24-23-17(26)21-13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,23,26)(H2,22,24,25,27)