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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N2OS2/c1-5-19(24)22-16-10-11-17-18(12-16)26-20(23-17)25-13-14-6-8-15(9-7-14)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,24)