N-[2-(4-chlorophenyl)sulfanylethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(6-nitro-3-pyridyl)piperazine-1-carbothioamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carbothioamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(6-nitro-3-pyridyl)piperazine-1-carbothioamide Formula: C18H20ClN5O2S2 MolecularWeight: 437.9667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5O2S2/c19-14-1-4-16(5-2-14)28-12-7-20-18(27)23-10-8-22(9-11-23)15-3-6-17(21-13-15)24(25)26/h1-6,13H,7-12H2,(H,20,27)