N-(2-chloranyl-5-nitro-phenyl)-4-methyl-piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methyl-piperidine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-piperidine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methyl-1-piperidinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methylpiperidine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-piperidine-1-carbothioamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O2S/c1-9-4-6-16(7-5-9)13(20)15-12-8-10(17(18)19)2-3-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,15,20)