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

Systemtic Name: 4-butoxy-N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-butoxybenzamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C30H32N2O3S2 MolecularWeight: 532.71668

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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(=O)C)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(=O)C)C)C

InChI

InChI=1S/C30H32N2O3S2/c1-6-7-14-35-24-11-8-22(9-12-24)29(34)31-23-10-13-26-27(16-23)37-30(32-26)36-17-25-18(2)15-19(3)28(20(25)4)21(5)33/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,31,34)