3,5-dinitro-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3,5-dinitro-N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3,5-dinitro-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(tetrahydrofurfuryl)benzamide Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-13(2)18-6-3-7-19-20(18)23-22(33-19)24(12-17-5-4-8-32-17)21(27)14-9-15(25(28)29)11-16(10-14)26(30)31/h3,6-7,9-11,13,17H,4-5,8,12H2,1-2H3