4-heptoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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