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

Systemtic Name: 4-ethoxy-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-ethyl-4-iodophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H18IN3O4S MolecularWeight: 499.32269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H18IN3O4S/c1-3-11-9-13(19)6-7-14(11)20-18(27)21-17(23)12-5-8-16(26-4-2)15(10-12)22(24)25/h5-10H,3-4H2,1-2H3,(H2,20,21,23,27)