5-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 5-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 5-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 5-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-3-4-5-6-7-12-32-23-26-19-10-8-17(14-21(19)33-23)25-22(29)18-13-16(24-15(2)28)9-11-20(18)27(30)31/h8-11,13-14H,3-4,7,12H2,1-2H3,(H,24,28)(H,25,29)