4-tert-butyl-N-[3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(4-pentoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: N-[3-[(4-amoxybenzoyl)thiocarbamoylamino]phenyl]-4-tert-butyl-benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H35N3O3S/c1-5-6-7-19-36-26-17-13-22(14-18-26)28(35)33-29(37)32-25-10-8-9-24(20-25)31-27(34)21-11-15-23(16-12-21)30(2,3)4/h8-18,20H,5-7,19H2,1-4H3,(H,31,34)(H2,32,33,35,37)