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

Systemtic Name: N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2-ethyl-4-iodophenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H16IN3O4S MolecularWeight: 485.29611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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