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N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name:	N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
Openeye Name:	N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CAS Name:	N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide
IUPAC Name:	N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
Traditional Name:	N-[(caproylamino)thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide
Formula:	C₂₂H₂₇N₃O₄S
MolecularWeight:	429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4S/c1-2-3-5-10-20(26)24-25-22(30)23-21(27)17-11-13-19(14-12-17)29-16-15-28-18-8-6-4-7-9-18/h4,6-9,11-14H,2-3,5,10,15-16H2,1H3,(H,24,26)(H2,23,25,27,30)

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