N-[(3,5-dimethylphenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3,5-dimethylphenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(3,5-dimethylphenyl)thiocarbamoyl]benzamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H26N2O2S/c1-4-5-6-11-25-19-9-7-17(8-10-19)20(24)23-21(26)22-18-13-15(2)12-16(3)14-18/h7-10,12-14H,4-6,11H2,1-3H3,(H2,22,23,24,26)