N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H35N3O3S/c1-5-6-9-19-36-26-14-8-7-13-25(26)28(35)33-29(37)32-24-12-10-11-23(20-24)31-27(34)21-15-17-22(18-16-21)30(2,3)4/h7-8,10-18,20H,5-6,9,19H2,1-4H3,(H,31,34)(H2,32,33,35,37)