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

Systemtic Name: 1-(4-morpholin-4-yl-3-nitro-phenyl)-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]methanimine Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholino-3-nitro-phenyl)methanimine CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]methanimine IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine Traditional Name: [2-(benzylthio)-1,3-benzothiazol-6-yl]-(4-morpholino-3-nitro-benzylidene)amine Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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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)SCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S2/c30-29(31)23-14-19(6-9-22(23)28-10-12-32-13-11-28)16-26-20-7-8-21-24(15-20)34-25(27-21)33-17-18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2