N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O4S/c1-5-24(6-2)16-9-10-17(14(4)12-16)22-21(30)23-20(26)15-8-11-19(29-7-3)18(13-15)25(27)28/h8-13H,5-7H2,1-4H3,(H2,22,23,26,30)