N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(cyclopropylamino)-3-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)NC5CC5)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)NC5CC5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-21(14-7-10-17(23-15-8-9-15)19(12-14)26(28)29)25(13-16-4-3-11-30-16)22-24-18-5-1-2-6-20(18)31-22/h1-2,5-7,10,12,15-16,23H,3-4,8-9,11,13H2/t16-/m1/s1