2-acetamido-3-(4-fluorophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 2-acetamido-3-(4-fluorophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 2-acetamido-3-(4-fluorophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-acetamido-3-(4-fluorophenyl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C25H26FN3O2S2 MolecularWeight: 483.621243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C

InChI

InChI=1S/C25H26FN3O2S2/c1-3-4-5-6-7-14-32-25-29-21-13-12-20(16-23(21)33-25)28-24(31)22(27-17(2)30)15-18-8-10-19(26)11-9-18/h8-13,16,22H,3-4,7,14-15H2,1-2H3,(H,27,30)(H,28,31)