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2-(hexanoylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name:	2-(hexanoylcarbamothioylamino)-N-(phenylmethyl)benzamide
Openeye Name:	N-benzyl-2-(hexanoylcarbamothioylamino)benzamide
CAS Name:	2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide
IUPAC Name:	N-benzyl-2-(hexanoylcarbamothioylamino)benzamide
Traditional Name:	N-benzyl-2-(caproylthiocarbamoylamino)benzamide
Formula:	C₂₁H₂₅N₃O₂S
MolecularWeight:	383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-2-3-5-14-19(25)24-21(27)23-18-13-9-8-12-17(18)20(26)22-15-16-10-6-4-7-11-16/h4,6-13H,2-3,5,14-15H2,1H3,(H,22,26)(H2,23,24,25,27)

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