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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[6-(p-tolylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]propanamide Traditional Name: N-p-phenetyl-2-[[6-(tosylamino)-1,3-benzothiazol-2-yl]thio]propionamide Formula: C25H25N3O4S3 MolecularWeight: 527.6787

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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)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25N3O4S3/c1-4-32-20-10-7-18(8-11-20)26-24(29)17(3)33-25-27-22-14-9-19(15-23(22)34-25)28-35(30,31)21-12-5-16(2)6-13-21/h5-15,17,28H,4H2,1-3H3,(H,26,29)