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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

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