N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O2S2/c1-13-16(14(2)26-24-13)12-27-18-9-5-3-7-15(18)21(25)22-11-20-23-17-8-4-6-10-19(17)28-20/h3-10H,11-12H2,1-2H3,(H,22,25)