N-[(2-butan-2-ylphenyl)carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: 3-iodo-N-[(2-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-3-iodobenzamide Traditional Name: 3-iodo-N-[(2-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C18H19IN2OS MolecularWeight: 438.32573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H19IN2OS/c1-3-12(2)15-9-4-5-10-16(15)20-18(23)21-17(22)13-7-6-8-14(19)11-13/h4-12H,3H2,1-2H3,(H2,20,21,22,23)