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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(4-morpholin-4-yl-3-nitro-phenyl)methanimine Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(4-morpholino-3-nitro-phenyl)methanimine CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-[4-(4-morpholinyl)-3-nitrophenyl]methanimine IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine Traditional Name: [2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-(4-morpholino-3-nitro-benzylidene)amine Formula: C29H30N4O3S2 MolecularWeight: 546.7035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O3S2/c1-29(2,3)22-7-4-20(5-8-22)19-37-28-31-24-10-9-23(17-27(24)38-28)30-18-21-6-11-25(26(16-21)33(34)35)32-12-14-36-15-13-32/h4-11,16-18H,12-15,19H2,1-3H3