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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-decoxy-benzamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-decoxybenzamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-decoxybenzamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Formula: C35H44N2O2S2 MolecularWeight: 588.86606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C35H44N2O2S2/c1-5-6-7-8-9-10-11-12-23-39-30-20-15-27(16-21-30)33(38)36-29-19-22-31-32(24-29)41-34(37-31)40-25-26-13-17-28(18-14-26)35(2,3)4/h13-22,24H,5-12,23,25H2,1-4H3,(H,36,38)