N-cyclohexyl-2-(hexanoylcarbamothioylamino)-N-methyl-benzamide

Systemtic Name: N-cyclohexyl-2-(hexanoylcarbamothioylamino)-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-(hexanoylcarbamothioylamino)-N-methyl-benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-2-(hexanoylcarbamothioylamino)-N-methylbenzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-cyclohexyl-N-methyl-benzamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-3-4-6-15-19(25)23-21(27)22-18-14-10-9-13-17(18)20(26)24(2)16-11-7-5-8-12-16/h9-10,13-14,16H,3-8,11-12,15H2,1-2H3,(H2,22,23,25,27)