N-(2-methyl-5-nitro-phenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C22H25N5O2S2/c1-16-2-3-19(27(28)29)14-20(16)24-22(30)26-10-5-18(6-11-26)21-23-8-12-25(21)9-4-17-7-13-31-15-17/h2-3,7-8,12-15,18H,4-6,9-11H2,1H3,(H,24,30)