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

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

Systemtic Name:4-heptoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(2-methyl-4-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=C(C=C2)[N+](=O)[O-])C


Isomeric SMILES

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


InChI

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


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