2-chloranyl-N-cyclohexyl-5-(hexanoylcarbamothioylamino)benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-(hexanoylcarbamothioylamino)benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-(hexanoylcarbamothioylamino)benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-(hexanoylcarbamothioylamino)benzamide Traditional Name: 5-(caproylthiocarbamoylamino)-2-chloro-N-cyclohexyl-benzamide Formula: C20H28ClN3O2S MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H28ClN3O2S/c1-2-3-5-10-18(25)24-20(27)23-15-11-12-17(21)16(13-15)19(26)22-14-8-6-4-7-9-14/h11-14H,2-10H2,1H3,(H,22,26)(H2,23,24,25,27)