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4-heptoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide

4-heptoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name:4-heptoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(4-nitrophenyl)thiocarbamoyl]benzamide
Formula: C21H25N3O4S
MolecularWeight: 415.5059
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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