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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C27H28N2OS2 MolecularWeight: 460.65402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2OS2/c1-27(2,3)21-12-9-20(10-13-21)18-31-26-29-23-15-14-22(17-24(23)32-26)28-25(30)16-11-19-7-5-4-6-8-19/h4-10,12-15,17H,11,16,18H2,1-3H3,(H,28,30)