N-[(3-acetamidophenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-4-amoxy-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)NC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

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

InChI

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