N-phenethyl-4-pyrazin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-phenethyl-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-phenethyl-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-phenethyl-4-pyrazin-2-yl-piperazine-1-carbothioamide Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S/c23-17(20-7-6-15-4-2-1-3-5-15)22-12-10-21(11-13-22)16-14-18-8-9-19-16/h1-5,8-9,14H,6-7,10-13H2,(H,20,23)