2-(hexanoylcarbamothioylamino)-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-(hexanoylcarbamothioylamino)-N-(3-hydroxypropyl)benzamide CAS Name: N-(3-hydroxypropyl)-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-(hexanoylcarbamothioylamino)-N-(3-hydroxypropyl)benzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-(3-hydroxypropyl)benzamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCCO

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCCO

InChI

InChI=1S/C17H25N3O3S/c1-2-3-4-10-15(22)20-17(24)19-14-9-6-5-8-13(14)16(23)18-11-7-12-21/h5-6,8-9,21H,2-4,7,10-12H2,1H3,(H,18,23)(H2,19,20,22,24)