3-bromanyl-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H23Br2N3O3S MolecularWeight: 557.29862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)Br

InChI

InChI=1S/C21H23Br2N3O3S/c1-12(2)8-9-29-18-7-6-14(11-17(18)23)19(27)24-21(30)26-25-20(28)15-5-4-13(3)16(22)10-15/h4-7,10-12H,8-9H2,1-3H3,(H,25,28)(H2,24,26,27,30)