4-(azepan-1-ylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4O5S2/c1-2-25-19-15-17(26(28)29)9-12-20(19)32-22(25)23-21(27)16-7-10-18(11-8-16)33(30,31)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14H2,1H3