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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-2-3-4-5-6-13-29-17-10-7-15(8-11-17)20(26)24-21(30)23-19-12-9-16(25(27)28)14-18(19)22/h7-12,14H,2-6,13H2,1H3,(H2,23,24,26,30)