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

Systemtic Name: 4-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-3-4-5-6-13-28-18-11-8-16(9-12-18)20(25)23-21(29)22-19-14-17(24(26)27)10-7-15(19)2/h7-12,14H,3-6,13H2,1-2H3,(H2,22,23,25,29)