1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-propanone IUPAC Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-tert-butylthiazol-2-yl)piperidino]-2-[(6-methoxy-3-nitro-2-pyridyl)thio]propan-1-one Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC(=CS2)C(C)(C)C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C2=NC(=CS2)C(C)(C)C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S2/c1-13(31-19-15(25(27)28)6-7-17(23-19)29-5)20(26)24-10-8-14(9-11-24)18-22-16(12-30-18)21(2,3)4/h6-7,12-14H,8-11H2,1-5H3