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

Systemtic Name: N-tert-butyl-3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-tert-butyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H33N3O3S/c1-5-6-7-8-16-31-21-14-12-18(13-15-21)22(29)27-24(32)26-20-11-9-10-19(17-20)23(30)28-25(2,3)4/h9-15,17H,5-8,16H2,1-4H3,(H,28,30)(H2,26,27,29,32)