4-heptoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O4S/c1-3-4-5-6-7-15-29-18-13-11-17(12-14-18)21(26)24-22(30)23-19-9-8-10-20(16(19)2)25(27)28/h8-14H,3-7,15H2,1-2H3,(H2,23,24,26,30)