N-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]methanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]methanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-benzofuran-5-yl]formamide CAS Name: N-[2-[(1,3-benzothiazol-2-ylthio)methyl]-2,4,6,7-tetramethyl-3H-benzofuran-5-yl]formamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide Traditional Name: N-[2-[(1,3-benzothiazol-2-ylthio)methyl]-2,4,6,7-tetramethyl-coumaran-5-yl]formamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CSC3=NC4=CC=CC=C4S3)C)NC=O

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CSC3=NC4=CC=CC=C4S3)C)NC=O

InChI

InChI=1S/C21H22N2O2S2/c1-12-13(2)19-15(14(3)18(12)22-11-24)9-21(4,25-19)10-26-20-23-16-7-5-6-8-17(16)27-20/h5-8,11H,9-10H2,1-4H3,(H,22,24)