(E)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]prop-2-enamide CAS Name: (E)-N-[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-(2-propionamido-1,3-benzothiazol-6-yl)acrylamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H23N3O2S/c1-4-20(26)25-22-24-18-11-10-17(13-19(18)28-22)23-21(27)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,23,27)(H,24,25,26)/b12-7+