4-(azepan-1-ylsulfonyl)-N-[4,5-bis(chloranyl)-3-ethyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4,5-bis(chloranyl)-3-ethyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H23Cl2N3O3S2 MolecularWeight: 512.47232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2Cl)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=CC(=C2Cl)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H23Cl2N3O3S2/c1-2-27-20-18(12-11-17(23)19(20)24)31-22(27)25-21(28)15-7-9-16(10-8-15)32(29,30)26-13-5-3-4-6-14-26/h7-12H,2-6,13-14H2,1H3