4-hexoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-4-7-14-27-16-12-10-15(11-13-16)19(24)22-20(28)21-17-8-5-6-9-18(17)23(25)26/h5-6,8-13H,2-4,7,14H2,1H3,(H2,21,22,24,28)