5-nitro-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-nitro-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-nitro-N-[(4-pentylphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-nitro-N-[(4-pentylanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-nitro-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-5-nitro-coumarilamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-3-4-5-14-6-8-16(9-7-14)22-21(29)23-20(25)19-13-15-12-17(24(26)27)10-11-18(15)28-19/h6-13H,2-5H2,1H3,(H2,22,23,25,29)