N-[(4-nitrophenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(4-nitrophenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-3-4-13-26-17-11-5-14(6-12-17)18(23)21-19(27)20-15-7-9-16(10-8-15)22(24)25/h5-12H,2-4,13H2,1H3,(H2,20,21,23,27)