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

Systemtic Name: (E)-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-acrylamide Formula: C27H26N2OS2 MolecularWeight: 458.63814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2OS2/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/h4-17H,18H2,1-3H3,(H,28,30)/b16-11+