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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[6-(methylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-[[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]thio]-N-p-phenetyl-propionamide Formula: C19H21N3O4S3 MolecularWeight: 451.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C19H21N3O4S3/c1-4-26-15-8-5-13(6-9-15)20-18(23)12(2)27-19-21-16-10-7-14(11-17(16)28-19)22-29(3,24)25/h5-12,22H,4H2,1-3H3,(H,20,23)