N-[(2-nitrophenyl)carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[(2-nitrophenyl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(2-nitrophenyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(2-nitrophenyl)carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-3-8-13-26-17-12-7-4-9-14(17)18(23)21-19(27)20-15-10-5-6-11-16(15)22(24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H2,20,21,23,27)