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

Systemtic Name: N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-iodo-2-methyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H14IN3O3S MolecularWeight: 455.27013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3O3S/c1-9-8-11(17)6-7-13(9)18-16(24)19-15(21)12-4-3-5-14(10(12)2)20(22)23/h3-8H,1-2H3,(H2,18,19,21,24)