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

Systemtic Name: N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S2/c25-18(23-7-9-29-10-8-23)12-30-20-22-15-6-5-13(11-17(15)31-20)21-19(26)14-3-1-2-4-16(14)24(27)28/h1-6,11H,7-10,12H2,(H,21,26)