N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(2-phenylethynyl)benzamide CAS Name: N-[4-[4-(acetamidomethyl)phenyl]-2-thiazolyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(2-phenylethynyl)benzamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H21N3O2S/c1-19(31)28-17-22-11-13-23(14-12-22)25-18-33-27(29-25)30-26(32)24-15-9-21(10-16-24)8-7-20-5-3-2-4-6-20/h2-6,9-16,18H,17H2,1H3,(H,28,31)(H,29,30,32)