N-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-5-methoxy-2-methyl-phenyl]benzamide

Systemtic Name: N-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-5-methoxy-2-methyl-phenyl]benzamide Openeye Name: N-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-5-methoxy-2-methyl-phenyl]benzamide CAS Name: N-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-5-methoxy-2-methylphenyl]benzamide IUPAC Name: N-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-5-methoxy-2-methylphenyl]benzamide Traditional Name: N-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-5-methoxy-2-methyl-phenyl]benzamide Formula: C25H25N3O4S3 MolecularWeight: 527.6787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3O4S3/c1-17-15-21(22(32-2)16-20(17)26-24(29)18-9-4-3-5-10-18)28-35(30,31)14-8-13-33-25-27-19-11-6-7-12-23(19)34-25/h3-7,9-12,15-16,28H,8,13-14H2,1-2H3,(H,26,29)