2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(2,5-dimethylthiazol-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(2,5-dimethyl-4-thiazolyl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(2,5-dimethylthiazol-4-yl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C21H23N3OS3 MolecularWeight: 429.62182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=C(SC(=N3)C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=C(SC(=N3)C)C

InChI

InChI=1S/C21H23N3OS3/c1-4-5-6-7-8-11-26-21-24-17-10-9-16(12-19(17)28-21)23-20(25)13-18-14(2)27-15(3)22-18/h9-10,12H,4-5,8,11,13H2,1-3H3,(H,23,25)