N-(4-ethoxyphenyl)-2-methyl-3-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-methyl-3-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-methyl-3-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-methyl-3-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-methyl-3-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-methyl-N-p-phenetyl-3-[(6-propionamido-1,3-benzothiazol-2-yl)thio]propionamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(C)C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(C)C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H25N3O3S2/c1-4-20(26)23-16-8-11-18-19(12-16)30-22(25-18)29-13-14(3)21(27)24-15-6-9-17(10-7-15)28-5-2/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,27)