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

Systemtic Name: 3-butoxy-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]benzamide Formula: C30H34N4O4S MolecularWeight: 546.68036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H34N4O4S/c1-5-6-18-38-25-9-7-8-22(19-25)27(36)32-29(39)34-33-28(37)21-12-16-24(17-13-21)31-26(35)20-10-14-23(15-11-20)30(2,3)4/h7-17,19H,5-6,18H2,1-4H3,(H,31,35)(H,33,37)(H2,32,34,36,39)