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

Systemtic Name: (2Z)-N-(3-butylsulfanylpropyl)-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: (2Z)-2-benzylidene-N-(3-butylsulfanylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: (2Z)-N-[3-(butylthio)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: (2Z)-2-benzylidene-N-(3-butylsulfanylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: (2Z)-2-benzal-N-[3-(butylthio)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S2/c1-2-3-13-28-14-7-12-24-22(26)18-10-11-20-19(16-18)25-23(27)21(29-20)15-17-8-5-4-6-9-17/h4-6,8-11,15-16H,2-3,7,12-14H2,1H3,(H,24,26)(H,25,27)/b21-15-