N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide Traditional Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]-2-mesyl-benzamide Formula: C21H19N3O4S3 MolecularWeight: 473.58826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H19N3O4S3/c1-12-16(13(2)28-24-12)11-29-21-23-17-9-8-14(10-18(17)30-21)22-20(25)15-6-4-5-7-19(15)31(3,26)27/h4-10H,11H2,1-3H3,(H,22,25)