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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H21IN4O3S MolecularWeight: 524.37521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C20H21IN4O3S/c1-3-4-17(26)22-15-9-7-13(8-10-15)19(28)24-25-20(29)23-18(27)14-6-5-12(2)16(21)11-14/h5-11H,3-4H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)