2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methyl-amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-methyl-amino]-N-mesityl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H25N3O2S2/c1-14-9-15(2)22(16(3)10-14)24-19(26)11-25(4)21(27)13-28-12-20-23-17-7-5-6-8-18(17)29-20/h5-10H,11-13H2,1-4H3,(H,24,26)