N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(6-acetamido-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S2/c1-3-28-21-13-10-19(25-17(2)29)16-22(21)33-24(28)26-23(30)18-8-11-20(12-9-18)34(31,32)27-14-6-4-5-7-15-27/h8-13,16H,3-7,14-15H2,1-2H3,(H,25,29)