(2Z)-3-oxidanylidene-2-(phenylmethylidene)-N-(3-propylsulfanylpropyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: (2Z)-3-oxidanylidene-2-(phenylmethylidene)-N-(3-propylsulfanylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: (2Z)-2-benzylidene-3-oxo-N-(3-propylsulfanylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: (2Z)-3-oxo-2-(phenylmethylene)-N-[3-(propylthio)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: (2Z)-2-benzylidene-3-oxo-N-(3-propylsulfanylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: (2Z)-2-benzal-3-keto-N-[3-(propylthio)propyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2

Isomeric SMILES

CCCSCCCNC(=O)C1=CC2=C(C=C1)S/C(=C\C3=CC=CC=C3)/C(=O)N2

InChI

InChI=1S/C22H24N2O2S2/c1-2-12-27-13-6-11-23-21(25)17-9-10-19-18(15-17)24-22(26)20(28-19)14-16-7-4-3-5-8-16/h3-5,7-10,14-15H,2,6,11-13H2,1H3,(H,23,25)(H,24,26)/b20-14-