N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(3-pyridylmethyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-N-(3-pyridylmethyl)benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c1-14-10-18-20(11-15(14)2)30-22(24-18)25(13-16-6-5-9-23-12-16)21(27)17-7-3-4-8-19(17)26(28)29/h3-12H,13H2,1-2H3