3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-5-12-29-18-11-8-15(13-17(18)23)19(27)24-21(30)26-25-20(28)14-6-9-16(10-7-14)22(2,3)4/h6-11,13H,5,12H2,1-4H3,(H,25,28)(H2,24,26,27,30)