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4-heptoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide

4-heptoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name:4-heptoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide
Formula: C22H27N3O5S
MolecularWeight: 445.53188
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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-])OC


Isomeric SMILES

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


InChI

InChI=1S/C22H27N3O5S/c1-3-4-5-6-7-14-30-18-11-8-16(9-12-18)21(26)24-22(31)23-19-15-17(25(27)28)10-13-20(19)29-2/h8-13,15H,3-7,14H2,1-2H3,(H2,23,24,26,31)


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