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

Systemtic Name: 4-chloranyl-N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[(2,4-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[(2,4-dimethylbenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C23H19ClN2OS2 MolecularWeight: 438.99276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C23H19ClN2OS2/c1-14-3-4-17(15(2)11-14)13-28-23-26-20-10-9-19(12-21(20)29-23)25-22(27)16-5-7-18(24)8-6-16/h3-12H,13H2,1-2H3,(H,25,27)