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

Systemtic Name: N-(3-nitrophenyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(3-nitrophenyl)piperidine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(3-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(3-nitrophenyl)piperidine-1-carbothioamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O2S/c23-22(24)18-8-4-7-17(14-18)20-19(25)21-11-9-16(10-12-21)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,20,25)