N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C26H28N6O5S2 MolecularWeight: 568.66772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H28N6O5S2/c1-3-37-17-16-32-23-11-8-21(29-19(2)33)18-24(23)38-26(32)30-25(34)20-6-9-22(10-7-20)39(35,36)31(14-4-12-27)15-5-13-28/h6-11,18H,3-5,14-17H2,1-2H3,(H,29,33)