3-[4-(phenylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide Openeye Name: 3-(4-benzylpiperazin-1-yl)pyrazine-2-carbothioamide CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-2-pyrazinecarbothioamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)pyrazine-2-carbothioamide Traditional Name: 3-(4-benzylpiperazino)thiopyrazinamide Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CN=C3C(=S)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CN=C3C(=S)N

InChI

InChI=1S/C16H19N5S/c17-15(22)14-16(19-7-6-18-14)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,17,22)