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

Systemtic Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(3-pyridylmethyl)benzamide CAS Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(3-pyridylmethyl)benzamide Formula: C23H19N5O5S MolecularWeight: 477.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5S/c1-14(2)19-6-3-7-20-21(19)25-23(34-20)26(13-15-5-4-8-24-12-15)22(29)16-9-17(27(30)31)11-18(10-16)28(32)33/h3-12,14H,13H2,1-2H3