N-(2-methoxy-4-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-3-methyl-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-3-methylpiperidine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-3-methyl-piperidine-1-carbothioamide Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-10-4-3-7-16(9-10)14(21)15-12-6-5-11(17(18)19)8-13(12)20-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,21)