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

Systemtic Name: 1-(4-morpholin-4-yl-3-nitro-phenyl)-N-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)methanimine Openeye Name: N-(2-allylsulfanyl-1,3-benzothiazol-6-yl)-1-(4-morpholino-3-nitro-phenyl)methanimine CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]-N-[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(4-morpholin-4-yl-3-nitrophenyl)-N-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)methanimine Traditional Name: [2-(allylthio)-1,3-benzothiazol-6-yl]-(4-morpholino-3-nitro-benzylidene)amine Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S2/c1-2-11-29-21-23-17-5-4-16(13-20(17)30-21)22-14-15-3-6-18(19(12-15)25(26)27)24-7-9-28-10-8-24/h2-6,12-14H,1,7-11H2