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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: N-p-phenetyl-2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-4-19(25)22-15-8-11-17-18(12-15)29-21(24-17)28-13(3)20(26)23-14-6-9-16(10-7-14)27-5-2/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,26)