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

Systemtic Name: N-cyclohexyl-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[6-[[3-nitro-4-(2-pyridylsulfanyl)phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[6-[[3-nitro-4-(2-pyridinylthio)phenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[6-[[3-nitro-4-(2-pyridylthio)benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C27H25N5O3S3 MolecularWeight: 563.7141

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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)SC5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O3S3/c33-25(30-19-6-2-1-3-7-19)17-36-27-31-21-11-10-20(15-24(21)38-27)29-16-18-9-12-23(22(14-18)32(34)35)37-26-8-4-5-13-28-26/h4-5,8-16,19H,1-3,6-7,17H2,(H,30,33)