N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-indane-1-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-oxo-1,2-dihydroindene-1-carboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-1,2-dihydroindene-1-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-keto-indane-1-carboxamide Formula: C24H22N2O2S2 MolecularWeight: 434.57368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

InChI

InChI=1S/C24H22N2O2S2/c1-2-3-4-5-8-13-29-24-26-20-12-11-16(14-22(20)30-24)25-23(28)19-15-21(27)18-10-7-6-9-17(18)19/h6-7,9-12,14,19H,2-3,8,13,15H2,1H3,(H,25,28)