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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methyl-amino]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-methyl-amino]-N-(4-methoxyphenyl)acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S2/c1-23(11-18(24)21-14-7-9-15(26-2)10-8-14)20(25)13-27-12-19-22-16-5-3-4-6-17(16)28-19/h3-10H,11-13H2,1-2H3,(H,21,24)