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

Systemtic Name: 3-oxidanylidene-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide Openeye Name: 3-oxo-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]indane-1-carboxamide CAS Name: 3-oxo-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide IUPAC Name: 3-oxo-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-dihydroindene-1-carboxamide Traditional Name: 3-keto-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]indane-1-carboxamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

Isomeric SMILES

C1C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

InChI

InChI=1S/C23H17N3O2S2/c27-20-11-18(16-5-1-2-6-17(16)20)22(28)25-15-7-8-19-21(10-15)30-23(26-19)29-13-14-4-3-9-24-12-14/h1-10,12,18H,11,13H2,(H,25,28)