[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-[(4-tert-butylthiazol-2-yl)methyl]piperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-[(4-tert-butyl-2-thiazolyl)methyl]-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-[(4-tert-butylthiazol-2-yl)methyl]piperazino]-(5-nitro-2-furyl)methanone Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)CN2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)CN2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-17(2,3)13-11-26-14(18-13)10-19-6-8-20(9-7-19)16(22)12-4-5-15(25-12)21(23)24/h4-5,11H,6-10H2,1-3H3