2-chloranyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 2-chloranyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridylmethyl)benzamide CAS Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridylmethyl)benzamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H17ClN4O3S/c1-13-9-14(2)20-19(10-13)25-22(31-20)26(12-15-5-3-4-8-24-15)21(28)17-11-16(27(29)30)6-7-18(17)23/h3-11H,12H2,1-2H3