5-acetamido-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: 5-acetamido-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 5-acetamido-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 5-acetamido-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C22H23N5O5S2 MolecularWeight: 501.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S2/c1-4-26(5-2)20(29)12-33-22-25-17-8-6-15(11-19(17)34-22)24-21(30)16-10-14(23-13(3)28)7-9-18(16)27(31)32/h6-11H,4-5,12H2,1-3H3,(H,23,28)(H,24,30)