2-methyl-N-(3-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: 2-methyl-N-(3-nitrophenyl)piperidine-1-carbothioamide Openeye Name: 2-methyl-N-(3-nitrophenyl)piperidine-1-carbothioamide CAS Name: 2-methyl-N-(3-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 2-methyl-N-(3-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 2-methyl-N-(3-nitrophenyl)piperidine-1-carbothioamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2S/c1-10-5-2-3-8-15(10)13(19)14-11-6-4-7-12(9-11)16(17)18/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,14,19)