2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4S/c1-3-4-5-8-13-28-19-10-7-6-9-17(19)20(25)23-21(29)22-18-14-16(24(26)27)12-11-15(18)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H2,22,23,25,29)