4-(4-chloranyl-2-nitro-phenyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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