(E)-3-(3-nitrophenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(3-pyridylmethyl)acrylamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c1-17(2)21-9-4-10-22-24(21)27-25(33-22)28(16-19-7-5-13-26-15-19)23(30)12-11-18-6-3-8-20(14-18)29(31)32/h3-15,17H,16H2,1-2H3/b12-11+