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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-30-20-14-18(27(28)29)2-3-19(20)24-22(31)26-10-5-17(6-11-26)21-23-8-12-25(21)9-4-16-7-13-32-15-16/h2-3,7-8,12-15,17H,4-6,9-11H2,1H3,(H,24,31)