N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C)OC

InChI

InChI=1S/C21H24N2O4S3/c1-21(2,27-3)11-12-28-20-23-16-10-9-14(13-17(16)29-20)22-19(24)15-7-5-6-8-18(15)30(4,25)26/h5-10,13H,11-12H2,1-4H3,(H,22,24)