3-iodanyl-4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C15H12IN3O3S MolecularWeight: 441.24355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])I

InChI

InChI=1S/C15H12IN3O3S/c1-9-5-6-10(7-13(9)16)14(20)18-15(23)17-11-3-2-4-12(8-11)19(21)22/h2-8H,1H3,(H2,17,18,20,23)