N-[(hexanoylamino)carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-methyl-benzamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-3-4-5-9-13(19)17-18-15(21)16-14(20)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H,17,19)(H2,16,18,20,21)