2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O5S2/c1-3-24-17-10-9-16(29-4-2)13-18(17)30-21(24)22-19(25)14-31(27,28)15-20(26)23-11-7-5-6-8-12-23/h9-10,13H,3-8,11-12,14-15H2,1-2H3