N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(o-toluoylamino)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H25N3O3S/c1-3-4-9-14-27-18-13-8-7-12-17(18)19(25)22-21(28)24-23-20(26)16-11-6-5-10-15(16)2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,26)(H2,22,24,25,28)