N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C28H28N2O2S2 MolecularWeight: 488.66412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O2S2/c1-17-14-18(2)27(20(4)31)19(3)23(17)16-33-28-30-24-12-11-22(15-25(24)34-28)29-26(32)13-10-21-8-6-5-7-9-21/h5-9,11-12,14-15H,10,13,16H2,1-4H3,(H,29,32)