2-(hexanoylcarbamothioylamino)-N-(4-phenylazanylphenyl)benzamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-(hexanoylcarbamothioylamino)benzamide CAS Name: N-(4-anilinophenyl)-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-(hexanoylcarbamothioylamino)benzamide Traditional Name: N-(4-anilinophenyl)-2-(caproylthiocarbamoylamino)benzamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O2S/c1-2-3-5-14-24(31)30-26(33)29-23-13-9-8-12-22(23)25(32)28-21-17-15-20(16-18-21)27-19-10-6-4-7-11-19/h4,6-13,15-18,27H,2-3,5,14H2,1H3,(H,28,32)(H2,29,30,31,33)