(E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-p-cumenyl-acrylamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O3S/c1-12(2)14-5-3-13(4-6-14)9-15(11-21)19(25)23-20-22-17-8-7-16(24(26)27)10-18(17)28-20/h3-10,12H,1-2H3,(H,22,23,25)/b15-9+