N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-[(2,4-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[2-[(2,4-dimethylbenzyl)thio]-1,3-benzothiazol-6-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C31H26N4OS3 MolecularWeight: 566.75934

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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)CSC4=NC5=CC=CC=C5N4C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4C6=CC=CC=C6)C

InChI

InChI=1S/C31H26N4OS3/c1-20-12-13-22(21(2)16-20)18-38-31-34-26-15-14-23(17-28(26)39-31)32-29(36)19-37-30-33-25-10-6-7-11-27(25)35(30)24-8-4-3-5-9-24/h3-17H,18-19H2,1-2H3,(H,32,36)