4-(1H-imidazol-5-yl)-N-[(3-iodanylphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-(1H-imidazol-5-yl)-N-[(3-iodanylphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-(1H-imidazol-5-yl)-N-[(3-iodophenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-(1H-imidazol-5-yl)-N-[(3-iodophenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-(1H-imidazol-5-yl)-N-[(3-iodophenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-(1H-imidazol-5-yl)-N-(3-iodobenzyl)piperidine-1-carbothioamide Formula: C16H19IN4S MolecularWeight: 426.31833

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN=CN2)C(=S)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCC1C2=CN=CN2)C(=S)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C16H19IN4S/c17-14-3-1-2-12(8-14)9-19-16(22)21-6-4-13(5-7-21)15-10-18-11-20-15/h1-3,8,10-11,13H,4-7,9H2,(H,18,20)(H,19,22)