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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2S/c1-10-4-3-7-15(9-10)13(19)14-11-5-2-6-12(8-11)16(17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,14,19)