4-tert-butyl-N-[4-[[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(4-hexoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=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

CCCCCCOC1=CC=C(C=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/C32H38N4O4S/c1-5-6-7-8-21-40-27-19-13-23(14-20-27)29(38)34-31(41)36-35-30(39)24-11-17-26(18-12-24)33-28(37)22-9-15-25(16-10-22)32(2,3)4/h9-20H,5-8,21H2,1-4H3,(H,33,37)(H,35,39)(H2,34,36,38,41)