N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholin-4-yl-3-nitro-phenyl)methanimine

Systemtic Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholin-4-yl-3-nitro-phenyl)methanimine Openeye Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholino-3-nitro-phenyl)methanimine CAS Name: N-[2-(ethylthio)-1,3-benzothiazol-6-yl]-1-[4-(4-morpholinyl)-3-nitrophenyl]methanimine IUPAC Name: N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine Traditional Name: [2-(ethylthio)-1,3-benzothiazol-6-yl]-(4-morpholino-3-nitro-benzylidene)amine Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-2-28-20-22-16-5-4-15(12-19(16)29-20)21-13-14-3-6-17(18(11-14)24(25)26)23-7-9-27-10-8-23/h3-6,11-13H,2,7-10H2,1H3