N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: 4-keto-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4)OC

InChI

InChI=1S/C22H24N2O4S2/c1-22(2,27-3)9-10-29-21-24-15-8-7-13(11-18(15)30-21)23-20(26)14-12-28-17-6-4-5-16(25)19(14)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,23,26)