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

Systemtic Name: 4-tert-butyl-N-[4-[[(4-pentoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[oxo-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: N-[4-[[(4-amoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C31H36N4O4S/c1-5-6-7-20-39-26-18-12-22(13-19-26)28(37)33-30(40)35-34-29(38)23-10-16-25(17-11-23)32-27(36)21-8-14-24(15-9-21)31(2,3)4/h8-19H,5-7,20H2,1-4H3,(H,32,36)(H,34,38)(H2,33,35,37,40)