N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[butyl(ethyl)sulfamoyl]benzamide Formula: C25H28N4O4S2 MolecularWeight: 512.64422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

InChI

InChI=1S/C25H28N4O4S2/c1-5-8-16-28(7-3)35(32,33)21-12-9-19(10-13-21)24(31)27-25-29(15-6-2)22-14-11-20(26-18(4)30)17-23(22)34-25/h2,9-14,17H,5,7-8,15-16H2,1,3-4H3,(H,26,30)