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

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-2-methylsulfonyl-benzamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-2-methylsulfonylbenzamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-2-methylsulfonylbenzamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-2-mesyl-benzamide Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C21H16N2O4S2/c1-29(26,27)19-9-5-2-6-15(19)20(25)22-13-10-11-14(17(24)12-13)21-23-16-7-3-4-8-18(16)28-21/h2-12,23H,1H3,(H,22,25)/b21-14+