4-acetamido-3-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-acetamido-3-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-acetamido-3-nitro-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-acetamido-3-nitro-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-acetamido-3-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-acetamido-3-nitro-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C22H17N5O4S2 MolecularWeight: 479.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S2/c1-13(28)24-17-6-4-15(9-19(17)27(30)31)21(29)25-16-5-7-18-20(10-16)33-22(26-18)32-12-14-3-2-8-23-11-14/h2-11H,12H2,1H3,(H,24,28)(H,25,29)