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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S2/c1-2-26-19-12-9-17(23)15-20(19)30-22(26)24-21(27)16-7-10-18(11-8-16)31(28,29)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14H2,1H3