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

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C19H21IN2O2S MolecularWeight: 468.35171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O2S/c1-3-4-11-24-16-9-7-15(8-10-16)21-19(25)22-18(23)14-6-5-13(2)17(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H2,21,22,23,25)