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

Systemtic Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(2-methoxyethoxymethyl)-2-imidazolyl]-N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCN1C=CN=C1C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COCCOCN1C=CN=C1C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H27N5O5S/c1-28-11-12-30-14-24-10-7-21-19(24)15-5-8-23(9-6-15)20(31)22-17-4-3-16(25(26)27)13-18(17)29-2/h3-4,7,10,13,15H,5-6,8-9,11-12,14H2,1-2H3,(H,22,31)