N-(3-bromophenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(3-bromophenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C17H18BrN3S MolecularWeight: 376.31392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H18BrN3S/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22)