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

Systemtic Name: 4-ethoxy-N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(4-iodo-2-methyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(4-iodo-2-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H16IN3O4S MolecularWeight: 485.29611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16IN3O4S/c1-3-25-15-7-4-11(9-14(15)21(23)24)16(22)20-17(26)19-13-6-5-12(18)8-10(13)2/h4-9H,3H2,1-2H3,(H2,19,20,22,26)