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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C22H26IN3O3S MolecularWeight: 539.42961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C22H26IN3O3S/c1-3-4-5-6-13-29-18-11-9-16(10-12-18)21(28)25-26-22(30)24-20(27)17-8-7-15(2)19(23)14-17/h7-12,14H,3-6,13H2,1-2H3,(H,25,28)(H2,24,26,27,30)