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

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-(octanoylcarbamothioylamino)benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-(octanoylcarbamothioylamino)benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-(octanoylcarbamothioylamino)benzamide Traditional Name: 5-(caprylylthiocarbamoylamino)-2-chloro-N-cyclohexyl-benzamide Formula: C22H32ClN3O2S MolecularWeight: 438.02638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN3O2S/c1-2-3-4-5-9-12-20(27)26-22(29)25-17-13-14-19(23)18(15-17)21(28)24-16-10-7-6-8-11-16/h13-16H,2-12H2,1H3,(H,24,28)(H2,25,26,27,29)