4-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S2/c24-23(25)17-8-6-16(7-9-17)21-11-13-22(14-12-21)19(26)20-10-15-27-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,20,26)