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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c1-3-26-20-13-8-17(2)16-21(20)30-23(26)24-22(27)18-9-11-19(12-10-18)31(28,29)25-14-6-4-5-7-15-25/h8-13,16H,3-7,14-15H2,1-2H3