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

Systemtic Name: 3,5-diacetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3,5-diacetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3,5-diacetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,5-diacetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3,5-diacetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S2/c1-4-5-6-7-8-11-33-25-29-22-10-9-19(15-23(22)34-25)28-24(32)18-12-20(26-16(2)30)14-21(13-18)27-17(3)31/h9-10,12-15H,4-5,8,11H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)