N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-iodo-benzamide Formula: C18H15IN4O2S MolecularWeight: 478.30677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H15IN4O2S/c19-14-7-3-2-6-13(14)17(25)20-18(26)22-21-16(24)11-23-10-9-12-5-1-4-8-15(12)23/h1-10H,11H2,(H,21,24)(H2,20,22,25,26)