N-(3-nitrophenyl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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