N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethanoylphenyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethanoylphenyl)butanamide Openeye Name: N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide CAS Name: N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylthio)butanamide IUPAC Name: N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide Traditional Name: N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-(1,3-benzothiazol-2-ylthio)butyramide Formula: C26H21N3O2S3 MolecularWeight: 503.65884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCCSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N3O2S3/c1-17(30)18-12-14-19(15-13-18)29(25-27-20-7-2-4-9-22(20)33-25)24(31)11-6-16-32-26-28-21-8-3-5-10-23(21)34-26/h2-5,7-10,12-15H,6,11,16H2,1H3