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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C24H24N4OS2 MolecularWeight: 448.60356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H24N4OS2/c1-2-3-4-5-8-15-30-24-28-20-12-11-17(16-21(20)31-24)25-23(29)14-13-22-26-18-9-6-7-10-19(18)27-22/h6-7,9-12,16H,2-3,8,13-15H2,1H3,(H,25,29)(H,26,27)