N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C)C#N

InChI

InChI=1S/C22H18N4O2S/c1-12-15(13(2)24-21(28)17(12)11-23)8-10-19(27)25-22-26-20-16-6-4-3-5-14(16)7-9-18(20)29-22/h3-7,9H,8,10H2,1-2H3,(H,24,28)(H,25,26,27)