N-cyclohexyl-2-[[6-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[6-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[6-[(4-morpholino-3-nitro-phenyl)methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[6-[[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[6-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[6-[(4-morpholino-3-nitro-benzylidene)amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O4S2/c32-25(28-19-4-2-1-3-5-19)17-36-26-29-21-8-7-20(15-24(21)37-26)27-16-18-6-9-22(23(14-18)31(33)34)30-10-12-35-13-11-30/h6-9,14-16,19H,1-5,10-13,17H2,(H,28,32)