2-[[6-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[6-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[6-[(4-morpholino-3-nitro-phenyl)methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-[[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[6-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[6-[(4-morpholino-3-nitro-benzylidene)amino]-1,3-benzothiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C28H27N5O4S2 MolecularWeight: 561.67508

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O4S2/c34-27(29-11-10-20-4-2-1-3-5-20)19-38-28-31-23-8-7-22(17-26(23)39-28)30-18-21-6-9-24(25(16-21)33(35)36)32-12-14-37-15-13-32/h1-9,16-18H,10-15,19H2,(H,29,34)