N-(4-bromophenyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide

Systemtic Name: N-(4-bromophenyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide Openeye Name: N-(4-bromophenyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiazole-5-carboxamide CAS Name: N-(4-bromophenyl)-4-methyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5-thiazolecarboxamide IUPAC Name: N-(4-bromophenyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide Traditional Name: N-(4-bromophenyl)-4-methyl-2-[[(E)-3-phenylacryloyl]amino]thiazole-5-carboxamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C=CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)/C=C/C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-13-18(19(26)23-16-10-8-15(21)9-11-16)27-20(22-13)24-17(25)12-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,26)(H,22,24,25)/b12-7+