4-(4-nitrophenyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c23-22(24)17-8-6-16(7-9-17)20-10-12-21(13-11-20)18(25)19-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,25)