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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C22H25N3O4S2/c1-4-28-17-11-10-15(12-18(17)29-5-2)23-20(26)13-25(3)21(27)14-30-22-24-16-8-6-7-9-19(16)31-22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)