N-[(E)-[azanyl-(6-chloranylpyrazin-2-yl)methylidene]amino]-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-[(E)-[azanyl-(6-chloranylpyrazin-2-yl)methylidene]amino]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylene]amino]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[(E)-[amino-(6-chloro-2-pyrazinyl)methylidene]amino]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[(E)-[amino-(6-chloropyrazin-2-yl)methylene]amino]-4-phenyl-piperazine-1-carbothioamide Formula: C16H18ClN7S MolecularWeight: 375.87902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NN=C(C3=CN=CC(=N3)Cl)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)N/N=C(\C3=CN=CC(=N3)Cl)/N

InChI

InChI=1S/C16H18ClN7S/c17-14-11-19-10-13(20-14)15(18)21-22-16(25)24-8-6-23(7-9-24)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,18,21)(H,22,25)