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

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C25H26N6O5S2 MolecularWeight: 554.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)S2)CCOC

InChI

InChI=1S/C25H26N6O5S2/c1-18(32)28-20-7-10-22-23(17-20)37-25(31(22)15-16-36-2)29-24(33)19-5-8-21(9-6-19)38(34,35)30(13-3-11-26)14-4-12-27/h5-10,17H,3-4,13-16H2,1-2H3,(H,28,32)