N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-methylsulfanyl-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-(methylthio)benzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylsulfanylbenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2-(methylthio)benzamide Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2

InChI

InChI=1S/C21H16N2O2S2/c1-26-18-8-4-2-6-14(18)20(25)22-13-10-11-17(24)15(12-13)21-23-16-7-3-5-9-19(16)27-21/h2-12,23H,1H3,(H,22,25)/b21-15+