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

Systemtic Name: 4-acetamido-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide Openeye Name: 4-acetamido-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide CAS Name: 4-acetamido-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-nitrobenzamide IUPAC Name: 4-acetamido-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitrobenzamide Traditional Name: 4-acetamido-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-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=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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