N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[6-[[4-(dimethylamino)-3-nitro-benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S2/c1-22(2,3)25-20(28)13-31-21-24-16-8-7-15(11-19(16)32-21)23-12-14-6-9-17(26(4)5)18(10-14)27(29)30/h6-12H,13H2,1-5H3,(H,25,28)