N-(2-methyl-5-nitro-phenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: 4-[1-(4-benzyloxybutyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-benzoxybutyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O3S/c1-21-9-10-24(32(33)34)19-25(21)29-27(36)31-15-11-23(12-16-31)26-28-13-17-30(26)14-5-6-18-35-20-22-7-3-2-4-8-22/h2-4,7-10,13,17,19,23H,5-6,11-12,14-16,18,20H2,1H3,(H,29,36)