N-[(E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(E)-3-(2-chlorophenyl)-2-(4-phenylthiazol-2-yl)allyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(E)-3-(2-chlorophenyl)-2-(4-phenyl-2-thiazolyl)prop-2-enyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(E)-3-(2-chlorophenyl)-2-(4-phenylthiazol-2-yl)allyl]-2-methyl-3-nitro-benzamide Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(=CC2=CC=CC=C2Cl)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC/C(=C\C2=CC=CC=C2Cl)/C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H20ClN3O3S/c1-17-21(11-7-13-24(17)30(32)33)25(31)28-15-20(14-19-10-5-6-12-22(19)27)26-29-23(16-34-26)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,28,31)/b20-14+