4-(phenylmethyl)piperazine-1-carbothioic S-acid

Systemtic Name: 4-(phenylmethyl)piperazine-1-carbothioic S-acid Openeye Name: 4-benzylpiperazine-1-carbothioic S-acid CAS Name: 4-(phenylmethyl)-1-piperazinecarbothioic S-acid IUPAC Name: 4-benzylpiperazine-1-carbothioic S-acid Traditional Name: 4-benzylpiperazine-1-carbothioic S-acid Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)S

InChI

InChI=1S/C12H16N2OS/c15-12(16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)