N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(m-toluoylamino)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H25N3O3S/c1-3-4-5-13-27-18-11-9-16(10-12-18)19(25)22-21(28)24-23-20(26)17-8-6-7-15(2)14-17/h6-12,14H,3-5,13H2,1-2H3,(H,23,26)(H2,22,24,25,28)