N-(2-methoxy-4-nitro-phenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: 4-[1-(4-benzyloxybutyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-benzoxybutyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C27H33N5O4S MolecularWeight: 523.64702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O4S/c1-35-25-19-23(32(33)34)9-10-24(25)29-27(37)31-15-11-22(12-16-31)26-28-13-17-30(26)14-5-6-18-36-20-21-7-3-2-4-8-21/h2-4,7-10,13,17,19,22H,5-6,11-12,14-16,18,20H2,1H3,(H,29,37)