N-(3-butylsulfanylpropyl)-4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-(3-butylsulfanylpropyl)-4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-(3-butylsulfanylpropyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(butylthio)propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-(butylthio)propyl]-4-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC3=CC=CC=C3S2

InChI

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