N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c19-15-3-1-14(2-4-15)13-20-18(26)22-11-9-21(10-12-22)16-5-7-17(8-6-16)23(24)25/h1-8H,9-13H2,(H,20,26)