N-(4-ethoxyphenyl)-2-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-2-(octanoylcarbamothioylamino)benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-(octanoylcarbamothioylamino)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-p-phenetyl-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C24H31N3O3S/c1-3-5-6-7-8-13-22(28)27-24(31)26-21-12-10-9-11-20(21)23(29)25-18-14-16-19(17-15-18)30-4-2/h9-12,14-17H,3-8,13H2,1-2H3,(H,25,29)(H2,26,27,28,31)