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

Systemtic Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-3-tosyl-propionamide Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S2/c1-15-6-9-17(10-7-15)31(28,29)13-12-22(27)24-16-8-11-18(20(26)14-16)23-25-19-4-2-3-5-21(19)30-23/h2-11,14,25H,12-13H2,1H3,(H,24,27)