4-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide

Systemtic Name: 4-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide Openeye Name: 4-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide CAS Name: 4-[[(6-acetamido-1,3-benzothiazol-2-yl)thio]methyl]-N-(2,4-dimethylphenyl)benzamide IUPAC Name: 4-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide Traditional Name: 4-[[(6-acetamido-1,3-benzothiazol-2-yl)thio]methyl]-N-(2,4-dimethylphenyl)benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C25H23N3O2S2/c1-15-4-10-21(16(2)12-15)27-24(30)19-7-5-18(6-8-19)14-31-25-28-22-11-9-20(26-17(3)29)13-23(22)32-25/h4-13H,14H2,1-3H3,(H,26,29)(H,27,30)