N-[4-[(3-iodanylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(3-iodanylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(3-iodophenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(3-iodophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(3-iodophenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(3-iodobenzyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H14IN5OS2 MolecularWeight: 495.36043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C17H14IN5OS2/c18-12-3-1-2-11(8-12)9-19-17(25)21-14-6-4-13(5-7-14)20-16(24)15-10-26-23-22-15/h1-8,10H,9H2,(H,20,24)(H2,19,21,25)