3-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide

Systemtic Name: 3-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-oxo-indane-1-carboxamide CAS Name: 3-oxo-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide IUPAC Name: 3-oxo-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-keto-indane-1-carboxamide Formula: C22H22N2O2S3 MolecularWeight: 442.61728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

InChI

InChI=1S/C22H22N2O2S3/c1-13(2)27-9-10-28-22-24-18-8-7-14(11-20(18)29-22)23-21(26)17-12-19(25)16-6-4-3-5-15(16)17/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,23,26)