6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-oxidanylidene-hexanamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-oxidanylidene-hexanamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-oxo-hexanamide CAS Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-oxohexanamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-oxohexanamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(3,4-dimethylphenyl)-5-keto-hexanamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H21N3O2S/c1-14-10-11-16(12-15(14)2)24-21(27)9-5-7-19(26)17(13-23)22-25-18-6-3-4-8-20(18)28-22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,24,27)