(3S)-N-(2-chloranyl-5-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(2-chloranyl-5-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide Openeye Name: (3S)-N-(2-chloro-5-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide CAS Name: (3S)-N-(2-chloro-5-nitrophenyl)-3-methyl-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(2-chloro-5-nitrophenyl)-3-methylpiperidine-1-carbothioamide Traditional Name: (3S)-N-(2-chloro-5-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O2S/c1-9-3-2-6-16(8-9)13(20)15-12-7-10(17(18)19)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,20)/t9-/m0/s1