N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(m-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=C2)C

Isomeric SMILES

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

InChI

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