2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]-N-(2-ethylphenyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-3-14-8-4-5-9-15(14)21-18(24)12-23(2)19(25)13-26-20-22-16-10-6-7-11-17(16)27-20/h4-11H,3,12-13H2,1-2H3,(H,21,24)