(E)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-acrylamide Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S2/c1-31-21-11-9-19(27(29)30)13-17(21)15-32-24-26-20-10-8-18(14-22(20)33-24)25-23(28)12-7-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,28)/b12-7+