N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS2/c1-22(2,3)18-12-9-17(10-13-18)15-27-21-25-24-20(28-21)23-19(26)14-11-16-7-5-4-6-8-16/h4-10,12-13H,11,14-15H2,1-3H3,(H,23,24,26)