2-(hexanoylcarbamothioylamino)-N-propan-2-yl-benzamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(hexanoylcarbamothioylamino)-N-isopropyl-benzamide CAS Name: 2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(hexanoylcarbamothioylamino)-N-propan-2-ylbenzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-isopropyl-benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-5-6-11-15(21)20-17(23)19-14-10-8-7-9-13(14)16(22)18-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H,18,22)(H2,19,20,21,23)