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

Systemtic Name: 3-butoxy-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]benzamide Formula: C20H23IN2O2S MolecularWeight: 482.37829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)CC

InChI

InChI=1S/C20H23IN2O2S/c1-3-5-11-25-17-8-6-7-15(13-17)19(24)23-20(26)22-18-10-9-16(21)12-14(18)4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H2,22,23,24,26)