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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-ethyl-amino]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethyl-amino]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-ethyl-amino]-N-(4-methoxyphenyl)acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S2/c1-3-23(12-18(24)21-14-8-10-15(26-2)11-9-14)19(25)13-27-20-22-16-6-4-5-7-17(16)28-20/h4-11H,3,12-13H2,1-2H3,(H,21,24)