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

Systemtic Name: 3-nitro-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-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-nitro-N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-nitro-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-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-14(2)18-9-4-10-19-20(18)23-22(30-19)24(13-17-8-5-11-29-17)21(26)15-6-3-7-16(12-15)25(27)28/h3-4,6-7,9-10,12,14,17H,5,8,11,13H2,1-2H3