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

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-2-(p-tolylsulfonyl)acetamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-2-tosyl-acetamide Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C22H18N2O4S2/c1-14-6-9-16(10-7-14)30(27,28)13-21(26)23-15-8-11-17(19(25)12-15)22-24-18-4-2-3-5-20(18)29-22/h2-12,24H,13H2,1H3,(H,23,26)/b22-17+