4-butoxy-N-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[(2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[(2,4,6-trimethylbenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H30N2O2S2 MolecularWeight: 490.68

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C28H30N2O2S2/c1-5-6-13-32-23-10-7-21(8-11-23)27(31)29-22-9-12-25-26(16-22)34-28(30-25)33-17-24-19(3)14-18(2)15-20(24)4/h7-12,14-16H,5-6,13,17H2,1-4H3,(H,29,31)