N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-5-methylsulfonylthiophene-2-carboxamide Traditional Name: 5-mesyl-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C19H22N2O4S4 MolecularWeight: 470.64898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C)OC

InChI

InChI=1S/C19H22N2O4S4/c1-19(2,25-3)9-10-26-18-21-13-6-5-12(11-15(13)28-18)20-17(22)14-7-8-16(27-14)29(4,23)24/h5-8,11H,9-10H2,1-4H3,(H,20,22)