2-(hexanoylcarbamothioylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-N-phenethyl-benzamide Openeye Name: 2-(hexanoylcarbamothioylamino)-N-phenethyl-benzamide CAS Name: 2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(hexanoylcarbamothioylamino)-N-phenethylbenzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-phenethyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-2-3-5-14-20(26)25-22(28)24-19-13-9-8-12-18(19)21(27)23-16-15-17-10-6-4-7-11-17/h4,6-13H,2-3,5,14-16H2,1H3,(H,23,27)(H2,24,25,26,28)