1-[(3-bromophenyl)methyl]piperidine-4-carbothioamide

Systemtic Name: 1-[(3-bromophenyl)methyl]piperidine-4-carbothioamide Openeye Name: 1-[(3-bromophenyl)methyl]piperidine-4-carbothioamide CAS Name: 1-[(3-bromophenyl)methyl]-4-piperidinecarbothioamide IUPAC Name: 1-[(3-bromophenyl)methyl]piperidine-4-carbothioamide Traditional Name: 1-(3-bromobenzyl)thioisonipecotamide Formula: C13H17BrN2S MolecularWeight: 313.25648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=S)N)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCC1C(=S)N)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN2S/c14-12-3-1-2-10(8-12)9-16-6-4-11(5-7-16)13(15)17/h1-3,8,11H,4-7,9H2,(H2,15,17)