N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methylimidazol-1-yl)propanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methylimidazol-1-yl)propanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methylimidazol-1-yl)propanamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-1-imidazolyl)propanamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methylimidazol-1-yl)propanamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=CN=C3C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=CN=C3C

InChI

InChI=1S/C21H24N4OS2/c1-3-4-5-6-7-14-27-21-24-18-9-8-17(15-19(18)28-21)23-20(26)10-12-25-13-11-22-16(25)2/h8-9,11,13,15H,3-4,7,10,12,14H2,1-2H3,(H,23,26)