4-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: 4-oxo-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: 4-oxo-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-keto-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C21H22N2O3S3/c1-12(2)27-8-9-28-21-23-15-7-6-13(10-18(15)29-21)22-20(25)14-11-26-17-5-3-4-16(24)19(14)17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,25)